Geometry & MOs

Info

ID:	398049
PubChem CID:	135031525
Reduced:	OSCl2N3H13C17 (1)
Stoich.:	ABC2D3E13F17 (1)
Weight, g/mol:	373.065176
ΔH_f, kcal/mol:	43.04
Dipole, Da:	1.13
IP(EA), eV:	-8.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloropyridin-3-yl)-(4-methoxyphenyl)-(2-methylsulfanylpyrimidin-4-yl)methanol

Drug info:

PubChemData

Smile

CSC1=NC=CC(=N1)C(C2=CC=C(C=C2)Cl)(C3=C(N=CC=C3)Cl)O

DOS

IR

Vibrations