Geometry & MOs

Info

ID:	60451
PubChem CID:	26686912
Reduced:	S2N3O4C17H19 (1)
Stoich.:	A2B3C4D17E19 (1)
Weight, g/mol:	377.094646
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	3.88
IP(EA), eV:	-9.74(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-quinoxalin-2-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC(=O)C1=CSC(=N1)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations