Geometry & MOs

Info

ID:

91768

PubChem CID:

49978971

Reduced:

SO4N5C31H41 (1)

Stoich.:

AB4C5D31E41 (1)

Weight, g/mol:

652.337319

ΔHf, kcal/mol:

-165.3

Dipole, Da:

9.14

IP(EA), eV:

 -8.4(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-[4-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations