Geometry & MOs

Info

ID:

94994

PubChem CID:

50005558

Reduced:

O5N6C35H42 (1)

Stoich.:

A5B6C35D42 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-175.4

Dipole, Da:

8.7

IP(EA), eV:

 -8.67(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations