Geometry & MOs

Info

ID:	197304
PubChem CID:	78951388
Reduced:	OSN2C16H16 (1)
Stoich.:	ABC2D16E16 (1)
Weight, g/mol:	286.000133
ΔH_f, kcal/mol:	13.3
Dipole, Da:	4.25
IP(EA), eV:	-8.77(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[3-chloro-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]ethanol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(N2)SC3=CC=CC=C3[C@@H](C)O

DOS

IR

Vibrations