Geometry & MOs

Info

ID:

101981

PubChem CID:

50065259

Reduced:

ClFO4N5C31H33 (1)

Stoich.:

ABC4D5E31F33 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-183.52

Dipole, Da:

9.26

IP(EA), eV:

 -8.69(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylbutanoylamino)phenyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=CC=C4)F)C)Cl

DOS

IR

Vibrations