Geometry & MOs

Info

ID:

92108

PubChem CID:

49982993

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

696.363533

ΔHf, kcal/mol:

-221.34

Dipole, Da:

6.24

IP(EA), eV:

 -8.52(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-[(3-methoxybenzoyl)amino]-3-methylanilino]-1-oxopropan-2-yl]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(=C(C=C4)NC(=O)C)Cl

DOS

IR

Vibrations