Geometry & MOs

Info

ID:	398051
PubChem CID:	135031528
Reduced:	OSCl2N4H12C16 (1)
Stoich.:	ABC2D4E12F16 (1)
Weight, g/mol:	378.010888
ΔH_f, kcal/mol:	57.84
Dipole, Da:	1.99
IP(EA), eV:	-8.98(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,6-dichloropyrimidin-5-yl)-(2-methylsulfanylpyrimidin-4-yl)-phenylmethanol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations