Geometry & MOs

Info

ID:	16441
PubChem CID:	469194
Reduced:	ON2S2C20H22 (1)
Stoich.:	AB2C2D20E22 (1)
Weight, g/mol:	370.117356
ΔH_f, kcal/mol:	13.4
Dipole, Da:	5.71
IP(EA), eV:	-8.87(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-2-(ethylsulfanylmethylsulfanyl)-6-(naphthalen-1-ylmethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC1=C(NC(=NC1=O)SCSCC)CC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations