Geometry & MOs

Info

ID:

112615

PubChem CID:

50413473

Reduced:

O5N6C32H42 (1)

Stoich.:

A5B6C32D42 (1)

Weight, g/mol:

660.287175

ΔHf, kcal/mol:

-195.55

Dipole, Da:

6.43

IP(EA), eV:

 -8.91(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,4-difluorophenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC(=C4)C(=O)NC(C)C)C(=O)NC

DOS

IR

Vibrations