Geometry & MOs

Info

ID:

95027

PubChem CID:

50005823

Reduced:

N6O6C33H44 (1)

Stoich.:

A6B6C33D44 (1)

Weight, g/mol:

632.251396

ΔHf, kcal/mol:

-228.5

Dipole, Da:

1.54

IP(EA), eV:

 -8.95(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(4-chlorobenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)OC

DOS

IR

Vibrations