Geometry & MOs

Info

ID:	123661
PubChem CID:	50858178
Reduced:	ClOSN3C24H26 (1)
Stoich.:	ABCD3E24F26 (1)
Weight, g/mol:	579.00184
ΔH_f, kcal/mol:	12.62
Dipole, Da:	3.97
IP(EA), eV:	-7.92(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-7-iodo-N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C=C2)/C=C/3\C(=O)N=C(S3)NC4=C(C=CC(=C4)Cl)C)C)(C)C

DOS

IR

Vibrations