Geometry & MOs

Info

ID:	43348
PubChem CID:	10321161
Reduced:	ClO2S2N4C19H27 (1)
Stoich.:	AB2C2D4E19F27 (1)
Weight, g/mol:	406.149718
ΔH_f, kcal/mol:	-64.9
Dipole, Da:	4.74
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexen-1-ylmethyl)-4-(4-methylpiperazin-1-yl)thieno[3,2-c]pyridine-2-sulfonamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=NC=CC3=C2C=C(S3)S(=O)(=O)NCC4=CCCCC4.Cl

DOS

IR

Vibrations