Geometry & MOs

Info

ID:

94851

PubChem CID:

50004325

Reduced:

N5O5C36H45 (1)

Stoich.:

A5B5C36D45 (1)

Weight, g/mol:

631.292532

ΔHf, kcal/mol:

-181.16

Dipole, Da:

3.6

IP(EA), eV:

 -8.63(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-[(3-chlorobenzoyl)amino]-4-methylphenyl]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)NC3=CC(=C(C=C3)C)NC(=O)C4=CC=CC=C4OC

DOS

IR

Vibrations