Geometry & MOs

Info

ID:	28782
PubChem CID:	829600
Reduced:	O2N3H19C21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	294.083827
ΔH_f, kcal/mol:	25.19
Dipole, Da:	1.87
IP(EA), eV:	-8.05(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (6S)-6-(2-fluorophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=C(OC=C3)C)C4=CC=CC=C41

DOS

IR

Vibrations