Geometry & MOs

Info

ID:

97795

PubChem CID:

50035108

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

726.273274

ΔHf, kcal/mol:

-238.42

Dipole, Da:

8.06

IP(EA), eV:

 -8.73(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(3-chlorobenzoyl)amino]-3-methylanilino]-2-oxoethyl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations