Geometry & MOs

Info

ID:

93951

PubChem CID:

49997756

Reduced:

N6O7C34H46 (1)

Stoich.:

A6B7C34D46 (1)

Weight, g/mol:

636.363533

ΔHf, kcal/mol:

-280.25

Dipole, Da:

9.72

IP(EA), eV:

 -8.9(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[5-(diethylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)OC

DOS

IR

Vibrations