Geometry & MOs

Info

ID:	123385
PubChem CID:	50845418
Reduced:	ClON3C19H28 (1)
Stoich.:	ABC3D19E28 (1)
Weight, g/mol:	395.130363
ΔH_f, kcal/mol:	-55.18
Dipole, Da:	6.85
IP(EA), eV:	-8.81(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC2CCN(CC2)C(=O)NC3=CC(=CC=C3)Cl

DOS

IR

Vibrations