Geometry & MOs

Info

ID:

94992

PubChem CID:

50005540

Reduced:

O5N6C29H38 (1)

Stoich.:

A5B6C29D38 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-196.35

Dipole, Da:

5.06

IP(EA), eV:

 -8.91(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(4-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)NC

DOS

IR

Vibrations