Geometry & MOs

Info

ID:	209849
PubChem CID:	80731255
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	334.076947
ΔH_f, kcal/mol:	-76.92
Dipole, Da:	6.46
IP(EA), eV:	-8.97(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(methylamino)-N-(1-methylpiperidin-3-yl)-4-nitrothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)C(=O)O)CN2CCCCCC2

DOS

IR

Vibrations