Geometry & MOs

Info

ID:	138675
PubChem CID:	52406035
Reduced:	NF2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	361.132551
ΔH_f, kcal/mol:	-180.45
Dipole, Da:	4.31
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-N-[3-fluoro-4-(2-methoxyethoxy)phenyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](COC1=C(C=C(C=C1)F)F)NC(=O)C(C)(C)C

DOS

IR

Vibrations