Geometry & MOs

Info

ID:

112127

PubChem CID:

50396243

Reduced:

O5N6C35H48 (1)

Stoich.:

A5B6C35D48 (1)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-217.11

Dipole, Da:

5.16

IP(EA), eV:

 -9.17(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-[2-(pyrrolidine-1-carbonyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC=C3C(=O)NCC(C)C)C(=O)NC4CCCC4

DOS

IR

Vibrations