Geometry & MOs

Info

ID:	197258
PubChem CID:	78943617
Reduced:	BrNSO2C13H14 (1)
Stoich.:	ABCD2E13F14 (1)
Weight, g/mol:	329.998113
ΔH_f, kcal/mol:	-24.72
Dipole, Da:	2.28
IP(EA), eV:	-8.52(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]ethanol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1O)CNCC2=C(C=CS2)Br

DOS

IR

Vibrations