Geometry & MOs

Info

ID:	37527
PubChem CID:	8021869
Reduced:	SO2N6H8C9 (1)
Stoich.:	AB2C6D8E9 (1)
Weight, g/mol:	399.973457
ΔH_f, kcal/mol:	94.01
Dipole, Da:	4.43
IP(EA), eV:	-9.66(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(1-methyltetrazol-5-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CN1C(=NN=N1)SCC2=NN=C(O2)C3=CC=CO3

DOS

IR

Vibrations