Geometry & MOs

Info

ID:	398050
PubChem CID:	135031527
Reduced:	ClSO2N3H16C18 (1)
Stoich.:	ABC2D3E16F18 (1)
Weight, g/mol:	378.010888
ΔH_f, kcal/mol:	12.97
Dipole, Da:	6.61
IP(EA), eV:	-8.72(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=C(N=CC=C2)Cl)(C3=NC(=NC=C3)SC)O

DOS

IR

Vibrations