Geometry & MOs

Info

ID:	22453
PubChem CID:	597232
Reduced:	ClOSN5C10H10 (1)
Stoich.:	ABCD5E10F10 (1)
Weight, g/mol:	283.029459
ΔH_f, kcal/mol:	45.32
Dipole, Da:	4.63
IP(EA), eV:	-9.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C(=NN=N2)SCC(=O)N)Cl

DOS

IR

Vibrations