Geometry & MOs

Info

ID:	379062
PubChem CID:	134352200
Reduced:	ClSN5O5C43H52 (1)
Stoich.:	ABC5D5E43F52 (1)
Weight, g/mol:	235.1361
ΔH_f, kcal/mol:	-130.22
Dipole, Da:	9.01
IP(EA), eV:	-8.16(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-4-methylidene-2,3-dihydro-1H-quinoline

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C=C2)N(C(=N/C=C/4\CN(CC(=C4Cl)/C=C/C5=NC6=C(C5(C)C)C=CC=[N+]6CCCCS(=O)(=O)[O-])C)C3(C)C)CCCCCC(=O)O

DOS

IR

Vibrations