Geometry & MOs

Info

ID:

108766

PubChem CID:

50257734

Reduced:

O5N6C38H40 (1)

Stoich.:

A5B6C38D40 (1)

Weight, g/mol:

678.296597

ΔHf, kcal/mol:

-140.03

Dipole, Da:

8.51

IP(EA), eV:

 -8.73(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations