Geometry & MOs

Info

ID:	178448
PubChem CID:	76331310
Reduced:	N2O2S2C15H18 (1)
Stoich.:	A2B2C2D15E18 (1)
Weight, g/mol:	384.09662
ΔH_f, kcal/mol:	-15.13
Dipole, Da:	4.95
IP(EA), eV:	-8.96(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenylmethoxy-6-phenylsulfanyl-5-propan-2-yl-2-sulfanylidenepyrimidin-4-one

Drug info:

PubChemData

Smile

CCON1C(=C(C(=O)NC1=S)C(C)C)SC2=CC=CC=C2

DOS

IR

Vibrations