Geometry & MOs

Info

ID:

100085

PubChem CID:

50058076

Reduced:

O4F5N5C32H32 (1)

Stoich.:

A4B5C5D32E32 (1)

Weight, g/mol:

754.304574

ΔHf, kcal/mol:

-370.38

Dipole, Da:

8.11

IP(EA), eV:

 -9.28(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(3-chlorobenzoyl)amino]-4-methylanilino]-1-oxopropan-2-yl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations