Geometry & MOs

Info

ID:	45942
PubChem CID:	10519476
Reduced:	N2O4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	316.134445
ΔH_f, kcal/mol:	-122.67
Dipole, Da:	2.74
IP(EA), eV:	-8.79(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R,6R,8S,9R)-4,4,11,11-tetramethyl-8-(prop-2-enylsulfanylmethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(CCC2(N1C(=O)N2C3=CC=CC=C3)C)OC

DOS

IR

Vibrations