Geometry & MOs

Info

ID:	27985
PubChem CID:	824657
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-112.47
Dipole, Da:	4.5
IP(EA), eV:	-9.0(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[[(1S)-3,4-dihydro-1H-isochromen-1-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Drug info:

PubChemData

Smile

C1CO[C@H](C2=CC=CC=C21)CNC(=O)[C@@H]3COC4=CC=CC=C4O3

DOS

IR

Vibrations