Geometry & MOs

Info

ID:

119815

PubChem CID:

50703325

Reduced:

ClN4O4C31H33 (1)

Stoich.:

AB4C4D31E33 (1)

Weight, g/mol:

630.08001

ΔHf, kcal/mol:

-123.24

Dipole, Da:

4.75

IP(EA), eV:

 -8.67(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-1-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4)C(=O)C

DOS

IR

Vibrations