Geometry & MOs

Info

ID:	43279
PubChem CID:	10320660
Reduced:	FNO3C27H28 (1)
Stoich.:	ABC3D27E28 (1)
Weight, g/mol:	433.066076
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	5.93
IP(EA), eV:	-8.54(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl-[(4-nitrophenyl)methyl]-(1-trimethylsilylethyl)sulfanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C2=CC(=C(C=C2)OCCN(C)C)C(=O)/C=C/C3=CC(=C(C=C3)O)F)C

DOS

IR

Vibrations