Geometry & MOs

Info

ID:	309334
PubChem CID:	126545308
Reduced:	F2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	352.148616
ΔH_f, kcal/mol:	-231.98
Dipole, Da:	4.81
IP(EA), eV:	-9.08(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7aR)-7a-[(2R)-1-(2,5-difluoro-4-methoxyphenyl)propan-2-yl]-6-ethyl-6,7-dihydro-1,3-benzodioxol-5-one

Drug info:

PubChemData

Smile

CC[C@H]1C[C@]2(C(=CC1=O)OCO2)[C@@H](C)CC3=CC(=C(C=C3F)OC)F

DOS

IR

Vibrations