Geometry & MOs

Info

ID:	447701
PubChem CID:	135284896
Reduced:	OSF2N2C20H22 (1)
Stoich.:	ABC2D2E20F22 (1)
Weight, g/mol:	326.145285
ΔH_f, kcal/mol:	-101.1
Dipole, Da:	6.71
IP(EA), eV:	-8.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-carbazol-9-yl-3-(thiazinan-2-yl)propan-2-ol

Drug info:

PubChemData

Smile

CC(CN1CCCCS1)(CN2C3=C(C=C(C=C3)F)C4=C2C=CC(=C4)F)O

DOS

IR

Vibrations