Geometry & MOs

Info

ID:	70041
PubChem CID:	47207061
Reduced:	ClSN2O3C11H11 (1)
Stoich.:	ABC2D3E11F11 (1)
Weight, g/mol:	281.05826
ΔH_f, kcal/mol:	-46.07
Dipole, Da:	4.98
IP(EA), eV:	-9.89(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-phenyltetrazol-5-yl)methylsulfonyl]acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC1=NC(=NO1)C2=CC=CC=C2Cl

DOS

IR

Vibrations