Geometry & MOs

Info

ID:	309510
PubChem CID:	126546747
Reduced:	FNO5C21H24 (1)
Stoich.:	ABC5D21E24 (1)
Weight, g/mol:	351.1646
ΔH_f, kcal/mol:	-214.86
Dipole, Da:	7.95
IP(EA), eV:	-8.69(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C(=C1)CC[C@]23C[C@@H](C(=O)C=C2OCO3)CC=C)F)OC

DOS

IR

Vibrations