Geometry & MOs

Info

ID:	11881
PubChem CID:	122577
Reduced:	OS2N8H10C15 (1)
Stoich.:	AB2C8D10E15 (1)
Weight, g/mol:	382.041899
ΔH_f, kcal/mol:	203.4
Dipole, Da:	5.34
IP(EA), eV:	-10.1(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis[(1-phenyltetrazol-5-yl)sulfanyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NN=N2)SC(=O)SC3=NN=NN3C4=CC=CC=C4

DOS

IR

Vibrations