Geometry & MOs

Info

ID:

112819

PubChem CID:

50421465

Reduced:

FCl2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

607.23616

ΔHf, kcal/mol:

-189.15

Dipole, Da:

12.92

IP(EA), eV:

 -8.8(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(2-chloroanilino)-3-oxopropyl]-1-[2-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations