Geometry & MOs

Info

ID:	193628
PubChem CID:	78415387
Reduced:	SN4O4H16C25 (1)
Stoich.:	AB4C4D16E25 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	45.5
Dipole, Da:	4.15
IP(EA), eV:	-9.17(-2.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-ethylphenyl)-2-prop-2-ynylsulfanyl-1,2,3,4a,5,6,8,8a-octahydropyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

C1C2=C(C=CC(=C2)C(=O)CSC3=NC(=C4C=CC(=O)C=C4)C(=C5C=CC(=O)C=C5)N=N3)NC1=O

DOS

IR

Vibrations