Geometry & MOs

Info

ID:	309338
PubChem CID:	126545404
Reduced:	O4C21H26 (1)
Stoich.:	A4B21C26 (1)
Weight, g/mol:	410.134108
ΔH_f, kcal/mol:	-130.24
Dipole, Da:	5.41
IP(EA), eV:	-8.75(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoroprop-2-enyl (3aR,5R)-3a-[(2S)-1-(2,5-difluoro-4-methylphenyl)propan-2-yl]-6-oxo-4,5-dihydro-1,3-benzodioxole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(C)[C@]23C[C@@H](C(=O)C=C2OCO3)CC=C)OC

DOS

IR

Vibrations