Geometry & MOs

Info

ID:

109595

PubChem CID:

50290535

Reduced:

FO3N4C30H33 (1)

Stoich.:

AB3C4D30E33 (1)

Weight, g/mol:

621.251811

ΔHf, kcal/mol:

-138.56

Dipole, Da:

10.62

IP(EA), eV:

 -8.82(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-chloro-4-(2-methylpropanoylamino)phenyl]-1-[1-[4-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)F)C

DOS

IR

Vibrations