Geometry & MOs

Info

ID:	236162
PubChem CID:	92711772
Reduced:	OSF2N2H22C24 (1)
Stoich.:	ABC2D2E22F24 (1)
Weight, g/mol:	476.176979
ΔH_f, kcal/mol:	-82.03
Dipole, Da:	7.78
IP(EA), eV:	-8.98(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-methoxyphenyl)-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)[C@H](N(CC3)C(=O)NC4=CC(=CC=C4)F)C5=CC=C(C=C5)F

DOS

IR

Vibrations