Geometry & MOs

Info

ID:	66216
PubChem CID:	46500441
Reduced:	NOSCl2C12H13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	345.053175
ΔH_f, kcal/mol:	-31.0
Dipole, Da:	3.14
IP(EA), eV:	-8.98(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzenesulfonyl)-2-[(4-nitrophenyl)methyl]tetrazole

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=CC=C1SCC2CC2(Cl)Cl

DOS

IR

Vibrations