Geometry & MOs

Info

ID:

112840

PubChem CID:

50422253

Reduced:

ClO4N5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

647.1874

ΔHf, kcal/mol:

-180.58

Dipole, Da:

5.11

IP(EA), eV:

 -8.95(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations