Geometry & MOs

Info

ID:	123993
PubChem CID:	50869141
Reduced:	ClSN2O2C21H25 (1)
Stoich.:	ABC2D2E21F25 (1)
Weight, g/mol:	463.163825
ΔH_f, kcal/mol:	-77.66
Dipole, Da:	6.52
IP(EA), eV:	-8.11(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(7-chloro-2,2,4-trimethyl-1-propylquinolin-6-yl)methylideneamino]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)/C=C/3\C(=O)N(C(=O)S3)CC)C(=CC1(C)C)C

DOS

IR

Vibrations