Geometry & MOs

Info

ID:	150945
PubChem CID:	53790642
Reduced:	FNSO8C36H40 (1)
Stoich.:	ABCD8E36F40 (1)
Weight, g/mol:	298.214409
ΔH_f, kcal/mol:	-222.54
Dipole, Da:	8.77
IP(EA), eV:	-8.62(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[2-(2-cycloheptylethoxy)ethyl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

CCCOC1=C(C2=C(C=C(C=C2)S(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=C1OCCC)OCCCCCCC4=CC=CC=C4F)OC(=O)C

DOS

IR

Vibrations