Geometry & MOs

Info

ID:	360937
PubChem CID:	127301768
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	348.125612
ΔH_f, kcal/mol:	-105.4
Dipole, Da:	7.37
IP(EA), eV:	-9.45(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxo-1,4-thiazepan-4-yl)-[5-methyl-1-(4-methylphenyl)triazol-4-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)C2=CC=C(C=C2)C3=CN=CO3

DOS

IR

Vibrations