Geometry & MOs

Info

ID:

94500

PubChem CID:

50002006

Reduced:

SO4N5C32H45 (1)

Stoich.:

AB4C5D32E45 (1)

Weight, g/mol:

627.24202

ΔHf, kcal/mol:

-180.94

Dipole, Da:

3.16

IP(EA), eV:

 -8.37(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(4-bromo-3-methylanilino)-3-oxopropyl]-1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)SC

DOS

IR

Vibrations