Geometry & MOs

Info

ID:

115548

PubChem CID:

50526904

Reduced:

ClFO5N6C32H34 (1)

Stoich.:

ABC5D6E32F34 (1)

Weight, g/mol:

648.246311

ΔHf, kcal/mol:

-217.74

Dipole, Da:

7.24

IP(EA), eV:

 -8.48(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[3-[4-[(3-methoxybenzoyl)amino]-3-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)NC(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations