Geometry & MOs

Info

ID:	24111
PubChem CID:	607886
Reduced:	SN2O2C18H18 (1)
Stoich.:	AB2C2D18E18 (1)
Weight, g/mol:	326.108899
ΔH_f, kcal/mol:	-30.87
Dipole, Da:	2.23
IP(EA), eV:	-8.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-methyl-4-naphthalen-1-yl-2-sulfanyl-1,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=NC1C2=CC=CC3=CC=CC=C32)S)C

DOS

IR

Vibrations