Geometry & MOs

Info

ID:	57994
PubChem CID:	24398160
Reduced:	SN3O3H19C22 (1)
Stoich.:	AB3C3D19E22 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-41.23
Dipole, Da:	5.76
IP(EA), eV:	-8.48(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-oxo-1-propyl-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]pyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O)C

DOS

IR

Vibrations