Geometry & MOs

Info

ID:	341420
PubChem CID:	127264113
Reduced:	SO5C14H14 (1)
Stoich.:	AB5C14D14 (1)
Weight, g/mol:	291.056529
ΔH_f, kcal/mol:	-160.3
Dipole, Da:	3.99
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-methoxy-4,5-dihydro-[1]benzothiepino[4,5-d][1,2]oxazole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C(CCS2)C(=O)C(=O)OC

DOS

IR

Vibrations