Geometry & MOs

Info

ID:	201875
PubChem CID:	79594895
Reduced:	N2S2O3C13H20 (1)
Stoich.:	A2B2C3D13E20 (1)
Weight, g/mol:	315.93243
ΔH_f, kcal/mol:	-108.96
Dipole, Da:	4.92
IP(EA), eV:	-8.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)ethanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=S)N)NS(=O)(=O)CCOC(C)C

DOS

IR

Vibrations