Geometry & MOs

Info

ID:

95491

PubChem CID:

50009805

Reduced:

O5N6C36H42 (1)

Stoich.:

A5B6C36D42 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-168.74

Dipole, Da:

7.18

IP(EA), eV:

 -8.84(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(propan-2-ylcarbamoyl)phenyl]-1-[1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations