Geometry & MOs

Info

ID:	178447
PubChem CID:	76331309
Reduced:	SN2O4C15H18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	322.08097
ΔH_f, kcal/mol:	-122.64
Dipole, Da:	4.36
IP(EA), eV:	-9.24(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2OCCO)C)C

DOS

IR

Vibrations