Geometry & MOs

Info

ID:	192226
PubChem CID:	78248171
Reduced:	SN2O4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	387.168188
ΔH_f, kcal/mol:	-62.4
Dipole, Da:	5.42
IP(EA), eV:	-8.45(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-3-methoxyphenyl)-2-(3-hydroxypropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C2C=C(NN2S(=O)(=O)C)C3=CC=CO3

DOS

IR

Vibrations