Geometry & MOs

Info

ID:

109108

PubChem CID:

50273094

Reduced:

ClFN6O6C36H40 (1)

Stoich.:

ABC6D6E36F40 (1)

Weight, g/mol:

615.261232

ΔHf, kcal/mol:

-258.06

Dipole, Da:

8.1

IP(EA), eV:

 -8.95(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-1-[1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations