Geometry & MOs

Info

ID:	390058
PubChem CID:	134996849
Reduced:	O4S5C14H16 (1)
Stoich.:	A4B5C14D16 (1)
Weight, g/mol:	329.089937
ΔH_f, kcal/mol:	-154.82
Dipole, Da:	3.49
IP(EA), eV:	-8.85(-2.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-methyl-5-(3-nitrophenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]isochromen-5-ol

Drug info:

PubChemData

Smile

CC(C1=CC(=C2C(=C1)SSSSS2)C(C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations