Geometry & MOs

Info

ID:	114459
PubChem CID:	50483811
Reduced:	SO4N6C30H36 (1)
Stoich.:	AB4C6D30E36 (1)
Weight, g/mol:	556.144424
ΔH_f, kcal/mol:	-111.76
Dipole, Da:	4.06
IP(EA), eV:	-8.65(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=NC=CS4)C

DOS

IR

Vibrations