Geometry & MOs

Info

ID:	69013
PubChem CID:	46515543
Reduced:	ClO2N4C23H25 (1)
Stoich.:	AB2C4D23E25 (1)
Weight, g/mol:	347.099143
ΔH_f, kcal/mol:	-17.28
Dipole, Da:	6.2
IP(EA), eV:	-8.57(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-fluorophenyl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C3NC4=CC=CC=C4C(=O)N3CCOC

DOS

IR

Vibrations