Geometry & MOs

Info

ID:	131511
PubChem CID:	51216697
Reduced:	SO3N4H10C14 (1)
Stoich.:	AB3C4D10E14 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	-19.87
Dipole, Da:	2.86
IP(EA), eV:	-8.94(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methylbutan-2-yl)-2-[(1-phenyltetrazol-5-yl)methylsulfanyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NNC(=O)C2=CN=C3N(C2=O)C=CS3

DOS

IR

Vibrations