Geometry & MOs

Info

ID:	9107
PubChem CID:	86172
Reduced:	S2N3O4C14H21 (1)
Stoich.:	A2B3C4D14E21 (1)
Weight, g/mol:	359.097349
ΔH_f, kcal/mol:	-156.81
Dipole, Da:	7.0
IP(EA), eV:	-8.57(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(ethylsulfanylmethylsulfinyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CCSCS(=O)CC(C)NC(=O)C=CC1=C(NC(=O)NC1=O)C

DOS

IR

Vibrations