Geometry & MOs

Info

ID:	73757
PubChem CID:	48420324
Reduced:	SN4O4C16H16 (1)
Stoich.:	AB4C4D16E16 (1)
Weight, g/mol:	377.098726
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	4.11
IP(EA), eV:	-8.51(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2,4-triazol-1-yl)ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)OCCN3C=NC=N3)OC

DOS

IR

Vibrations