Geometry & MOs

Info

ID:	188680
PubChem CID:	77753367
Reduced:	N3O3H25C26 (1)
Stoich.:	A3B3C25D26 (1)
Weight, g/mol:	858.583028
ΔH_f, kcal/mol:	-24.59
Dipole, Da:	3.1
IP(EA), eV:	-8.48(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-methyl-3-[3-[[4-methyl-3-[[4-methyl-2-[[[2-methyl-3-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butanoyl]amino]propanoyl]amino]methyl]pentanoyl]amino]pentanoyl]amino]butanoylamino]hexanoate

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

COC1=CC=C(C=C1)C2=CN=C(N2)C(C(C3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

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

COC1=CC=C(C=C1)C2=CN=C(N2)C(C(C3=CC=CC=C3)N)C(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):