Geometry & MOs

Info

ID:	73730
PubChem CID:	48420108
Reduced:	ClSN4O4C13H15 (1)
Stoich.:	ABC4D4E13F15 (1)
Weight, g/mol:	394.131091
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	4.17
IP(EA), eV:	-10.06(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate

Drug info:

PubChemData

Smile

CN(CC(=O)OCCN1C=NC=N1)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations