Geometry & MOs

Info

ID:

105859

PubChem CID:

50140270

Reduced:

O5N6C35H42 (1)

Stoich.:

A5B6C35D42 (1)

Weight, g/mol:

630.352969

ΔHf, kcal/mol:

-171.9

Dipole, Da:

7.16

IP(EA), eV:

 -8.96(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[2-[2-methyl-4-(pyrrolidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NCC(C)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations