Geometry & MOs

Info

ID:	175176
PubChem CID:	75864337
Reduced:	ClN4O4C22H31 (1)
Stoich.:	AB4C4D22E31 (1)
Weight, g/mol:	386.108899
ΔH_f, kcal/mol:	-186.24
Dipole, Da:	1.91
IP(EA), eV:	-9.32(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2-dihydroacenaphthylen-5-yl)-1-oxo-2,3-dihydropyrrolo[2,1-b][1,3]benzothiazole-3a-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N1CCN(CC1)C(=O)C(=O)NC(C)C)NC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations