Geometry & MOs

Info

ID:

100501

PubChem CID:

50061784

Reduced:

O4N5C31H35 (1)

Stoich.:

A4B5C31D35 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-116.42

Dipole, Da:

9.56

IP(EA), eV:

 -8.71(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-3-methyl-1-oxobutan-2-yl]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)NC4=C(C=C(C=C4)C(=O)NC)C

DOS

IR

Vibrations