Geometry & MOs

Info

ID:	123855
PubChem CID:	50863155
Reduced:	ClO2N3C23H28 (1)
Stoich.:	AB2C3D23E28 (1)
Weight, g/mol:	500.147132
ΔH_f, kcal/mol:	-49.47
Dipole, Da:	7.74
IP(EA), eV:	-8.02(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(E)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)C3=CC(=CC=C3)O)C(CC1(C)C)C

DOS

IR

Vibrations