Geometry & MOs

Info

ID:	172875
PubChem CID:	75564137
Reduced:	ClSO2N3C28H32 (1)
Stoich.:	ABC2D3E28F32 (1)
Weight, g/mol:	446.24819
ΔH_f, kcal/mol:	-67.82
Dipole, Da:	9.46
IP(EA), eV:	-8.5(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(7-fluoro-2,2,4-trimethyl-1-propyl-3,4-dihydroquinolin-6-yl)methylideneamino]-4-pyrrol-1-ylbenzamide

Drug info:

PubChemData

Smile

CCCN1C2=C(C=C(C(=C2)Cl)C=C3C(=O)NC(=S)N(C3=O)C4=CC(=CC(=C4)C)C)C(CC1(C)C)C

DOS

IR

Vibrations