Geometry & MOs

Info

ID:	219685
PubChem CID:	85164488
Reduced:	ClO9H27C29 (1)
Stoich.:	AB9C27D29 (1)
Weight, g/mol:	556.3836
ΔH_f, kcal/mol:	-302.89
Dipole, Da:	6.19
IP(EA), eV:	-9.56(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-[2-[[2-amino-4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]pyrrolidine-2-carboxylate

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)COC2C(C(OC(C2OC(=O)C3=CC=CC=C3)O)COCC(=O)Cl)OC(=O)C4=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

C1=CC=C(C=C1)COC2C(C(OC(C2OC(=O)C3=CC=CC=C3)O)COCC(=O)Cl)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):