Geometry & MOs

Info

ID:	29316
PubChem CID:	832926
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	336.094392
ΔH_f, kcal/mol:	-36.85
Dipole, Da:	7.54
IP(EA), eV:	-8.79(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)C(=O)NN=C2C[C@@H](CC=C2C)C(=C)C

DOS

IR

Vibrations