Geometry & MOs

Info

ID:	79217
PubChem CID:	49747456
Reduced:	S3N4O6C23H30 (1)
Stoich.:	A3B4C6D23E30 (1)
Weight, g/mol:	478.201634
ΔH_f, kcal/mol:	-210.4
Dipole, Da:	6.05
IP(EA), eV:	-8.57(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1,3-benzodioxol-5-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC2=C1C=C(C=C2)NC(=O)C(=O)NCCC3CCCCN3S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations