Geometry & MOs

Info

ID:	37783
PubChem CID:	8024381
Reduced:	S2N3O3H13C18 (1)
Stoich.:	A2B3C3D13E18 (1)
Weight, g/mol:	344.119464
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	9.2
IP(EA), eV:	-8.78(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylsulfanylanilino)propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)OCC3=NC(=O)C4=C(N3)C=CS4

DOS

IR

Vibrations