Geometry & MOs

Info

ID:	7393
PubChem CID:	72366
Reduced:	N2S2O3C18H24 (1)
Stoich.:	A2B2C3D18E24 (1)
Weight, g/mol:	380.122835
ΔH_f, kcal/mol:	-101.78
Dipole, Da:	7.52
IP(EA), eV:	-9.16(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3,5-dimethylphenyl)sulfanyl-1-(2-hydroxyethoxymethyl)-5-propan-2-yl-2-sulfanylpyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2=C(C(=O)N=C(N2COCCO)S)C(C)C)C

DOS

IR

Vibrations