Geometry & MOs

Info

ID:	182681
PubChem CID:	76923698
Reduced:	SO2N3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	331.01024
ΔH_f, kcal/mol:	-34.4
Dipole, Da:	2.59
IP(EA), eV:	-9.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfanyl-N-(tetrazolidin-5-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1C2=C(CCN1C(=O)C(C)C(=NO)N)SC=C2

DOS

IR

Vibrations