Geometry & MOs

Info

ID:	189437
PubChem CID:	77855670
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	569.275545
ΔH_f, kcal/mol:	-58.16
Dipole, Da:	2.62
IP(EA), eV:	-8.5(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethenyl-5,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-6-yl) 2-(benzylamino)acetate;hydrate;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)S(=O)C)C=CC2CCC(=O)NN2

DOS

IR

Vibrations