Geometry & MOs

Info

ID:	200679
PubChem CID:	79426535
Reduced:	SCl2N2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	257.967291
ΔH_f, kcal/mol:	31.36
Dipole, Da:	4.57
IP(EA), eV:	-9.09(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chlorophenyl)-(4-chlorothiophen-2-yl)methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C2=CC(=CS2)Cl)Cl)C(C)C

DOS

IR

Vibrations