Geometry & MOs

Info

ID:	391832
PubChem CID:	135010081
Reduced:	SN2O5C11H14 (1)
Stoich.:	AB2C5D11E14 (1)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	-143.9
Dipole, Da:	4.86
IP(EA), eV:	-8.94(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-hydroxy-16-(hydroxymethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylate

Drug info:

PubChemData

Smile

CS(=O)(=O)N1COC[C@H]1C(=O)N(C2=CC=CC=C2)O

DOS

IR

Vibrations