Geometry & MOs

Info

ID:	33728
PubChem CID:	7887780
Reduced:	FOS2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	375.111815
ΔH_f, kcal/mol:	-37.2
Dipole, Da:	2.7
IP(EA), eV:	-8.7(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)N(C)CC4=CC(=CC=C4)F

DOS

IR

Vibrations