Geometry & MOs

Info

ID:	77639
PubChem CID:	49658550
Reduced:	S2N3O4C24H27 (1)
Stoich.:	A2B3C4D24E27 (1)
Weight, g/mol:	497.144299
ΔH_f, kcal/mol:	-94.65
Dipole, Da:	1.4
IP(EA), eV:	-8.25(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=C(C=CS2)S(=O)(=O)N3CCN(CC3)C4=CC(=CC=C4)OC)C

DOS

IR

Vibrations