Geometry & MOs

Info

ID:

97567

PubChem CID:

50032666

Reduced:

O5N6C39H42 (1)

Stoich.:

A5B6C39D42 (1)

Weight, g/mol:

706.327897

ΔHf, kcal/mol:

-144.79

Dipole, Da:

12.29

IP(EA), eV:

 -8.65(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations