Geometry & MOs

Info

ID:	195965
PubChem CID:	78755023
Reduced:	SO2N6C20H20 (1)
Stoich.:	AB2C6D20E20 (1)
Weight, g/mol:	355.110296
ΔH_f, kcal/mol:	33.02
Dipole, Da:	1.37
IP(EA), eV:	-9.18(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-5-[1-(3-nitrophenyl)ethylsulfanyl]tetrazole

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N2C(=NN=N2)SC(C)C(=O)N3CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations