Geometry & MOs

Info

ID:	37536
PubChem CID:	8021990
Reduced:	SO3N6C12H18 (1)
Stoich.:	AB3C6D12E18 (1)
Weight, g/mol:	348.136845
ΔH_f, kcal/mol:	-61.89
Dipole, Da:	7.2
IP(EA), eV:	-9.58(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylpropyl)-2-[[2-(1-methyltetrazol-5-yl)sulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC[C@H]1C(=C(NC(=O)N1)CSC2=NN=NN2C)C(=O)OCC

DOS

IR

Vibrations