Geometry & MOs

Info

ID:	89846
PubChem CID:	49965019
Reduced:	SO3N5H17C20 (1)
Stoich.:	AB3C5D17E20 (1)
Weight, g/mol:	370.10842
ΔH_f, kcal/mol:	5.51
Dipole, Da:	10.27
IP(EA), eV:	-8.54(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-chlorophenyl)-2,8,8-trimethyl-3,5,7,9-tetrahydrochromeno[2,3-d]pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2C(=C(OC3=C2C(=O)NC4=C3SC(=N4)NCC=C)N)C#N

DOS

IR

Vibrations