Geometry & MOs

Info

ID:	163775
PubChem CID:	74374228
Reduced:	O6H22C23 (1)
Stoich.:	A6B22C23 (1)
Weight, g/mol:	470.151158
ΔH_f, kcal/mol:	-132.27
Dipole, Da:	2.87
IP(EA), eV:	-8.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[4-(methanesulfonamido)phenyl]-4-oxo-4a,5,6,7,8,8a-hexahydrochromen-7-yl]oxymethyl]benzamide

Drug info:

PubChemData

Smile

C1CC2C(CC1OCC3=CC(=CC=C3)C(=O)O)OC=C(C2=O)C4=CC=C(C=C4)O

DOS

IR

Vibrations