Geometry & MOs

Info

ID:	52230
PubChem CID:	12015035
Reduced:	S2O3N4H16C17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	410.141262
ΔH_f, kcal/mol:	-26.19
Dipole, Da:	2.81
IP(EA), eV:	-8.99(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-methyl-2-phenylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(N=C1SCC2=NNC(=S)O2)C3=CC=CC=C3)C

DOS

IR

Vibrations