Geometry & MOs

Info

ID:	206409
PubChem CID:	80247335
Reduced:	O2S2N3C13H25 (1)
Stoich.:	A2B2C3D13E25 (1)
Weight, g/mol:	314.087118
ΔH_f, kcal/mol:	-69.35
Dipole, Da:	3.57
IP(EA), eV:	-8.87(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-N-[(3-ethylthiophen-2-yl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)CNS(=O)(=O)N(C)CCCNCC

DOS

IR

Vibrations