Geometry & MOs

Info

ID:	197316
PubChem CID:	78952001
Reduced:	FSN2O2C13H13 (1)
Stoich.:	ABC2D2E13F13 (1)
Weight, g/mol:	305.027728
ΔH_f, kcal/mol:	-88.94
Dipole, Da:	6.05
IP(EA), eV:	-9.59(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[4-(1,3-benzoxazol-2-ylsulfanyl)-3-chlorophenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)SC2=CC=CC(=C2[C@H](C)O)F

DOS

IR

Vibrations