Geometry & MOs

Info

ID:	401186
PubChem CID:	135050510
Reduced:	NOSC18H21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	308.162374
ΔH_f, kcal/mol:	22.22
Dipole, Da:	3.36
IP(EA), eV:	-8.44(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(2-methoxy-2-oxoethyl)-4a-methyl-8-methylidene-3-oxo-1,4,5,6,7,8a-hexahydronaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[S@](=O)N[C@](C)(CC=C)C2=CC=CC=C2

DOS

IR

Vibrations