Geometry & MOs

Info

ID:	341422
PubChem CID:	127264115
Reduced:	SO4H12C13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	261.045964
ΔH_f, kcal/mol:	-118.57
Dipole, Da:	3.06
IP(EA), eV:	-9.1(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C(=O)C1CCSC2=CC=CC=C2C1=O

DOS

IR

Vibrations