Geometry & MOs

Info

ID:

107867

PubChem CID:

50222010

Reduced:

ClO4N5C31H34 (1)

Stoich.:

AB4C5D31E34 (1)

Weight, g/mol:

617.2013

ΔHf, kcal/mol:

-118.47

Dipole, Da:

8.04

IP(EA), eV:

 -8.53(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-2-fluoroanilino)-3-oxopropyl]-1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4Cl

DOS

IR

Vibrations