Geometry & MOs

Info

ID:

96004

PubChem CID:

50018359

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-188.66

Dipole, Da:

4.62

IP(EA), eV:

 -8.65(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(3-fluorophenyl)carbamoyl]-6-methylanilino]-3-oxopropyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NCC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations