Geometry & MOs

Info

ID:

114270

PubChem CID:

50476426

Reduced:

F2O4N5C32H35 (1)

Stoich.:

A2B4C5D32E35 (1)

Weight, g/mol:

646.267046

ΔHf, kcal/mol:

-220.87

Dipole, Da:

10.2

IP(EA), eV:

 -9.15(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-carbamoyl-4-chloroanilino)-3-oxopropyl]-1-[1-[2-methyl-3-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C(=O)NC(C)C)C(=O)NC4=CC(=C(C=C4)F)F

DOS

IR

Vibrations