Geometry & MOs

Info

ID:	77641
PubChem CID:	49658556
Reduced:	S2N3O4C20H27 (1)
Stoich.:	A2B3C4D20E27 (1)
Weight, g/mol:	477.175599
ΔH_f, kcal/mol:	-121.47
Dipole, Da:	3.65
IP(EA), eV:	-8.29(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=C(C=CS1)S(=O)(=O)N2CCN(CC2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations