Geometry & MOs

Info

ID:	126648
PubChem CID:	50971668
Reduced:	SN4C16H22 (1)
Stoich.:	AB4C16D22 (1)
Weight, g/mol:	340.087308
ΔH_f, kcal/mol:	50.2
Dipole, Da:	4.89
IP(EA), eV:	-8.67(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-3-methylphenyl)-2-[2-(1-methyltetrazol-5-yl)sulfanylethylamino]acetamide

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=CSC(=C2)C3C4=C(CCN3)NC=N4

DOS

IR

Vibrations