Geometry & MOs

Info

ID:	28579
PubChem CID:	828442
Reduced:	S2N3H13C14 (1)
Stoich.:	A2B3C13D14 (1)
Weight, g/mol:	303.056529
ΔH_f, kcal/mol:	86.52
Dipole, Da:	4.42
IP(EA), eV:	-8.64(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d][1,3]oxazin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C2=C3C(=CSC3=NC=N2)C4=CC=CS4

DOS

IR

Vibrations