Geometry & MOs

Info

ID:	296983
PubChem CID:	117604395
Reduced:	NO5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	364.059229
ΔH_f, kcal/mol:	-149.52
Dipole, Da:	4.75
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-phenyl-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=C2C(=CC(=C1)C(C(CNC(=O)O)C3=CC4=CC=CC=C4C=C3)OC)OCO2

DOS

IR

Vibrations