Geometry & MOs

Info

ID:

163903

PubChem CID:

74380719

Reduced:

O8N9C49H57 (1)

Stoich.:

A8B9C49D57 (1)

Weight, g/mol:

685.370016

ΔHf, kcal/mol:

-265.72

Dipole, Da:

9.51

IP(EA), eV:

 -8.65(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-1-[2-(2-aminopropanoylamino)-3-naphthalen-2-ylpropanoyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CO)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)CCC6=CC=C(C=C6)O

DOS

IR

Vibrations