Geometry & MOs

Info

ID:

117733

PubChem CID:

50613274

Reduced:

ClO5N6C33H37 (1)

Stoich.:

AB5C6D33E37 (1)

Weight, g/mol:

650.241974

ΔHf, kcal/mol:

-167.54

Dipole, Da:

6.62

IP(EA), eV:

 -8.81(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[4-[(4-fluorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC)NC(=O)C4=CC=CC=C4

DOS

IR

Vibrations