Geometry & MOs

Info

ID:	53318
PubChem CID:	14710334
Reduced:	NSO4C17H19 (1)
Stoich.:	ABC4D17E19 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-120.21
Dipole, Da:	6.5
IP(EA), eV:	-9.35(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4a-methyl-2-oxo-1,3,4,5,6,7,8,8a-octahydronaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C(COC2OC)C3=CC=CC=C3

DOS

IR

Vibrations