Geometry & MOs

Info

ID:	302452
PubChem CID:	124361797
Reduced:	FSN2O2C21H21 (1)
Stoich.:	ABC2D2E21F21 (1)
Weight, g/mol:	322.131742
ΔH_f, kcal/mol:	-92.78
Dipole, Da:	4.57
IP(EA), eV:	-9.27(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R)-N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC1([C@@H](N2[C@@H](S1)C3=CC=CC=C3C2=O)C(=O)NCCC4=CC(=CC=C4)F)C

DOS

IR

Vibrations