Geometry & MOs

Info

ID:	198640
PubChem CID:	79128619
Reduced:	OSN2C17H20 (1)
Stoich.:	ABC2D17E20 (1)
Weight, g/mol:	321.059028
ΔH_f, kcal/mol:	-21.37
Dipole, Da:	4.68
IP(EA), eV:	-8.57(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-4-methylaniline

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)SCC(=O)NC2=CC=CC(=C2C)C

DOS

IR

Vibrations