Geometry & MOs

Info

ID:

109875

PubChem CID:

50300516

Reduced:

O4N5C29H37 (1)

Stoich.:

A4B5C29D37 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-152.23

Dipole, Da:

9.45

IP(EA), eV:

 -8.97(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(2,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N)C

DOS

IR

Vibrations