Geometry & MOs

Info

ID:	126314
PubChem CID:	50959165
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	-57.95
Dipole, Da:	2.9
IP(EA), eV:	-8.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyclohexyl-2-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)acetate

Drug info:

PubChemData

Smile

CCC1=CC=C(O1)C2=C(N=CN2CC3CCS(=O)(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations