Geometry & MOs

Info

ID:	44429
PubChem CID:	10503546
Reduced:	SN2O3C26H26 (1)
Stoich.:	AB2C3D26E26 (1)
Weight, g/mol:	446.266839
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	4.04
IP(EA), eV:	-9.28(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,6R,9R,10S,13R,15R)-2,15-diacetyloxy-5,5,9-trimethyl-14-methylidene-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C/C=C/C2=CC=CC=C2)C3CC(=O)N3CC4=CC=CC=C4

DOS

IR

Vibrations