Geometry & MOs

Info

ID:

176990

PubChem CID:

76123332

Reduced:

O7C63H78 (1)

Stoich.:

A7B63C78 (1)

Weight, g/mol:

510.28422

ΔHf, kcal/mol:

-228.84

Dipole, Da:

6.36

IP(EA), eV:

 -8.48(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-[[3-methyl-1-[(5-oxopyrrolidine-2-carbonyl)amino]pentyl]-(naphthalen-1-ylmethyl)amino]acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CC=CC2=C(C(=C(C(=C2OC)C)C)C)C)C.CC1=CC(=C(C=C1)C=CC(=O)C2=C(C(=C(C(=C2OC)C)C)C)C)C.CC1=C(C(=C(C(=C1O)C)CCCC2=C(C=C(C=C2)O)O)OC)C

DOS

IR

Vibrations