Geometry & MOs

Info

ID:	406765
PubChem CID:	135078552
Reduced:	ClNOSF3C12H13 (1)
Stoich.:	ABCDE3F12G13 (1)
Weight, g/mol:	336.114458
ΔH_f, kcal/mol:	-171.29
Dipole, Da:	4.08
IP(EA), eV:	-8.81(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-butyl-3-hydroxy-2-(trimethylgermylmethyl)-2H-inden-1-one

Drug info:

PubChemData

Smile

CC(C)(C)[S@](=O)/N=C(\C1=CC=C(C=C1)Cl)/C(F)(F)F

DOS

IR

Vibrations