Geometry & MOs

Info

ID:	29317
PubChem CID:	832927
Reduced:	FSN2O3C16H17 (1)
Stoich.:	ABC2D3E16F17 (1)
Weight, g/mol:	334.098728
ΔH_f, kcal/mol:	-147.52
Dipole, Da:	1.18
IP(EA), eV:	-9.22(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-3-acetyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=S)N([C@@H]1C2=CC=CC=C2F)C(=O)C)C

DOS

IR

Vibrations