Geometry & MOs

Info

ID:	341419
PubChem CID:	127264112
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	294.056195
ΔH_f, kcal/mol:	-88.83
Dipole, Da:	2.96
IP(EA), eV:	-8.81(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(8-methoxy-5-oxo-3,4-dihydro-2H-1-benzothiepin-4-yl)-2-oxoacetate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3=C(CCC2)C(=NO3)C(=O)OC

DOS

IR

Vibrations