Geometry & MOs

Info

ID:

106516

PubChem CID:

50166217

Reduced:

ClO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

666.352969

ΔHf, kcal/mol:

-194.21

Dipole, Da:

8.2

IP(EA), eV:

 -8.73(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4CCCCC4C)C

DOS

IR

Vibrations