Geometry & MOs

Info

ID:	220053
PubChem CID:	85165189
Reduced:	Cl2O3N4H34C36 (1)
Stoich.:	A2B3C4D34E36 (1)
Weight, g/mol:	641.288377
ΔH_f, kcal/mol:	-61.58
Dipole, Da:	10.01
IP(EA), eV:	-8.96(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[[1-[[1-[(1-methoxy-1-oxopropan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxo-6-[(2,2,2-trifluoroacetyl)amino]hexan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)CCC(C(=O)NCCC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)N(C=C4CC(=O)N)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C1=CC=C(C=C1)CCC(C(=O)NCCC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)N(C=C4CC(=O)N)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):