Geometry & MOs

Info

ID:	39493
PubChem CID:	8140993
Reduced:	ClSN3O4H12C14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	403.093498
ΔH_f, kcal/mol:	-43.68
Dipole, Da:	5.44
IP(EA), eV:	-9.0(-2.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC(=O)NC1=CC=C(C=C1)Cl)C(=O)C2=CC=C(S2)[N+](=O)[O-]

DOS

IR

Vibrations