Geometry & MOs

Info

ID:	195162
PubChem CID:	78646903
Reduced:	ClN2O4C18H21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	403.161743
ΔH_f, kcal/mol:	-130.25
Dipole, Da:	2.84
IP(EA), eV:	-9.77(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-N-(3-methylbutan-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CCC(=O)OCC(=O)NC(C)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations