Geometry & MOs

Info

ID:	140234
PubChem CID:	52667530
Reduced:	FN2O2C23H23 (1)
Stoich.:	AB2C2D23E23 (1)
Weight, g/mol:	414.044106
ΔH_f, kcal/mol:	-63.62
Dipole, Da:	5.38
IP(EA), eV:	-8.82(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N'-[5-(3-chlorophenyl)thiophene-2-carbonyl]-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N(C)C(=O)NC2=CC(=CC=C2)OCC3=CC(=CC=C3)F

DOS

IR

Vibrations