Geometry & MOs

Info

ID:	84349
PubChem CID:	49865954
Reduced:	O2F3N3H16C19 (1)
Stoich.:	A2B3C3D16E19 (1)
Weight, g/mol:	528.25456
ΔH_f, kcal/mol:	-152.51
Dipole, Da:	7.99
IP(EA), eV:	-9.3(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3S,5S,8S,10S)-2,10-diacetyloxy-8,12,15,15-tetramethyl-4-methylidene-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 2-thiophen-2-ylacetate

Drug info:

PubChemData

Smile

CC1=CC(=NN1C2=CC=CC(=C2)C3=CC=CC=C3OCC(F)(F)F)C(=O)N

DOS

IR

Vibrations