Geometry & MOs

Info

ID:	216947
PubChem CID:	85087022
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	318.183109
ΔH_f, kcal/mol:	-57.49
Dipole, Da:	3.66
IP(EA), eV:	-9.4(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-methylidene-5-[2-(5-oxo-2H-furan-4-yl)ethyl]-2,3,4,4a,5,7,8,8a-octahydronaphthalene-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC=C(S2)C(=O)NO

DOS

IR

Vibrations