Geometry & MOs

Info

ID:	123662
PubChem CID:	50858326
Reduced:	BrIO2N3C23H23 (1)
Stoich.:	ABC2D3E23F23 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	27.05
Dipole, Da:	7.33
IP(EA), eV:	-8.18(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-nitrophenyl)sulfanyl-N-[(Z)-(1,2,2,4-tetramethyl-3,4-dihydroquinolin-6-yl)methylideneamino]acetamide

Drug info:

PubChemData

Smile

CC1CC(N(C2=C1C=C(C=C2)/C=N\NC(=O)C3=CC4=CC(=CC(=C4O3)I)Br)C)(C)C

DOS

IR

Vibrations