Geometry & MOs

Info

ID:	366599
PubChem CID:	127320128
Reduced:	N2S2O5C15H20 (1)
Stoich.:	A2B2C5D15E20 (1)
Weight, g/mol:	335.105211
ΔH_f, kcal/mol:	-169.9
Dipole, Da:	8.78
IP(EA), eV:	-9.91(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,1-dioxothian-3-yl)-2-(5-phenyltetrazol-2-yl)acetamide

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC3CC3

DOS

IR

Vibrations