Geometry & MOs

Info

ID:	61078
PubChem CID:	26705322
Reduced:	SN3O5C23H25 (1)
Stoich.:	AB3C5D23E25 (1)
Weight, g/mol:	381.078327
ΔH_f, kcal/mol:	-138.21
Dipole, Da:	4.87
IP(EA), eV:	-9.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-(4-methyl-2-oxochromen-7-yl)-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations