Geometry & MOs

Info

ID:	175161
PubChem CID:	75862570
Reduced:	SN3O3C22H30 (1)
Stoich.:	AB3C3D22E30 (1)
Weight, g/mol:	457.140179
ΔH_f, kcal/mol:	-65.01
Dipole, Da:	7.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755301
Charge, e:	1

Chem-info

IUPAC name:

1-[2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea

Drug info:

PubChemData

Smile

C1CC[NH+](C1)C(CNC(=O)NC2=CC=C(C=C2)OCC3=CC=CS3)C4CCOC4

DOS

IR

Vibrations