Geometry & MOs

Info

ID:	24895
PubChem CID:	614263
Reduced:	ClSN3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	363.04444
ΔH_f, kcal/mol:	-55.87
Dipole, Da:	3.41
IP(EA), eV:	-9.34(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-2-[3-(4-chlorophenyl)-3-oxoprop-1-enyl]sulfanylpyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1N)SC=CC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations