Geometry & MOs

Info

ID:	216715
PubChem CID:	85086661
Reduced:	NSF3O3C11H12 (1)
Stoich.:	ABC3D3E11F12 (1)
Weight, g/mol:	295.087599
ΔH_f, kcal/mol:	-268.16
Dipole, Da:	8.19
IP(EA), eV:	-9.91(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-trimethylsilyloxiran-2-yl)methyl 4-nitrobenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(=CN)C(C(F)(F)F)O

DOS

IR

Vibrations