Geometry & MOs

Info

ID:	123784
PubChem CID:	50862076
Reduced:	ClFSN2O3C26H28 (1)
Stoich.:	ABCD2E3F26G28 (1)
Weight, g/mol:	466.186104
ΔH_f, kcal/mol:	-143.4
Dipole, Da:	7.56
IP(EA), eV:	-8.03(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C(=C2)OC)/C=C/3\C(=O)N(C(=O)S3)CC4=C(C=CC=C4Cl)F)C(CC1(C)C)C

DOS

IR

Vibrations