Geometry & MOs

Info

ID:

118943

PubChem CID:

50664331

Reduced:

ClO4N5C31H40 (1)

Stoich.:

AB4C5D31E40 (1)

Weight, g/mol:

649.22226

ΔHf, kcal/mol:

-167.49

Dipole, Da:

11.41

IP(EA), eV:

 -8.42(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-chlorophenyl)-1-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations