Geometry & MOs

Info

ID:	29314
PubChem CID:	832924
Reduced:	O2N3C20H25 (1)
Stoich.:	A2B3C20D25 (1)
Weight, g/mol:	336.094392
ΔH_f, kcal/mol:	-33.31
Dipole, Da:	6.85
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4R)-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