Geometry & MOs

Info

ID:	360918
PubChem CID:	127301739
Reduced:	SN4O4C14H16 (1)
Stoich.:	AB4C4D14E16 (1)
Weight, g/mol:	354.055339
ΔH_f, kcal/mol:	-93.78
Dipole, Da:	7.64
IP(EA), eV:	-9.72(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chlorophenyl)triazol-4-yl]-(1,1-dioxo-1,4-thiazepan-4-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)CN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations