Geometry & MOs

Info

ID:	114710
PubChem CID:	50493840
Reduced:	FN5O5C32H36 (1)
Stoich.:	AB5C5D32E36 (1)
Weight, g/mol:	538.219175
ΔH_f, kcal/mol:	-205.16
Dipole, Da:	9.99
IP(EA), eV:	-8.98(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=CC=C3)OC)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations