Geometry & MOs

Info

ID:

112185

PubChem CID:

50398174

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

680.308911

ΔHf, kcal/mol:

-183.6

Dipole, Da:

7.98

IP(EA), eV:

 -8.78(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)Cl)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations