Geometry & MOs

Info

ID:	171690
PubChem CID:	75413706
Reduced:	ClON5C20H22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	347.04973
ΔH_f, kcal/mol:	45.14
Dipole, Da:	7.48
IP(EA), eV:	-8.6(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2-methoxyacetyl)amino]-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N2C(=CC(=N2)C)NC(=O)/C=C/C3=C(N(N=C3C)C)Cl)C

DOS

IR

Vibrations