Geometry & MOs

Info

ID:	38789
PubChem CID:	8137929
Reduced:	N4O4C21H30 (1)
Stoich.:	A4B4C21D30 (1)
Weight, g/mol:	396.021452
ΔH_f, kcal/mol:	-125.94
Dipole, Da:	3.03
IP(EA), eV:	-8.87(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCCCCCC1=NC(=NO1)C2=CC=C(C=C2)OC)NC(=O)C

DOS

IR

Vibrations