Geometry & MOs

Info

ID:

115365

PubChem CID:

50520809

Reduced:

ClO3N4C25H31 (1)

Stoich.:

AB3C4D25E31 (1)

Weight, g/mol:

636.226324

ΔHf, kcal/mol:

-107.28

Dipole, Da:

5.7

IP(EA), eV:

 -8.94(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[3-[3-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations