Geometry & MOs

Info

ID:	123848
PubChem CID:	50863148
Reduced:	Cl2O2N3C24H29 (1)
Stoich.:	A2B2C3D24E29 (1)
Weight, g/mol:	473.20161
ΔH_f, kcal/mol:	-49.38
Dipole, Da:	9.86
IP(EA), eV:	-8.12(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=N/NC(=O)COC3=CC=CC=C3Cl)C(CC1(C)C)C

DOS

IR

Vibrations