Geometry & MOs

Info

ID:	165698
PubChem CID:	74584888
Reduced:	N4O4C23H24 (1)
Stoich.:	A4B4C23D24 (1)
Weight, g/mol:	358.122538
ΔH_f, kcal/mol:	-98.79
Dipole, Da:	1.61
IP(EA), eV:	-8.37(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

7-(4-methylphenyl)-4-oxo-1-prop-2-enyl-2-sulfanylidene-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CN1CCC2=C(C1C3C(N(C(=O)NC3=O)C4=CC(=CC=C4)OC)O)NC5=CC=CC=C25

DOS

IR

Vibrations