Geometry & MOs

Info

ID:

94495

PubChem CID:

50001996

Reduced:

ClN6O6C35H47 (1)

Stoich.:

AB6C6D35E47 (1)

Weight, g/mol:

668.345296

ΔHf, kcal/mol:

-257.13

Dipole, Da:

5.1

IP(EA), eV:

 -9.04(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-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)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations