Geometry & MOs

Info

ID:	178440
PubChem CID:	76331142
Reduced:	SN2O2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	384.09662
ΔH_f, kcal/mol:	-7.15
Dipole, Da:	5.48
IP(EA), eV:	-8.66(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(2-phenylethoxy)-6-phenylsulfanyl-2-sulfanylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(C1)C(C)(C)C2=NC3=C(C=CC=C3S2)OC)C4=CC=CC=C4

DOS

IR

Vibrations