Geometry & MOs

Info

ID:	360964
PubChem CID:	127301795
Reduced:	N2S2O3C13H18 (1)
Stoich.:	A2B2C3D13E18 (1)
Weight, g/mol:	368.070989
ΔH_f, kcal/mol:	-97.94
Dipole, Da:	5.43
IP(EA), eV:	-8.81(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-chlorophenyl)-5-methyltriazol-4-yl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CSCC2=CC=CC=N2

DOS

IR

Vibrations