Geometry & MOs

Info

ID:	166496
PubChem CID:	74700279
Reduced:	SO3N4C27H36 (1)
Stoich.:	AB3C4D27E36 (1)
Weight, g/mol:	465.268808
ΔH_f, kcal/mol:	-37.55
Dipole, Da:	4.7
IP(EA), eV:	-8.35(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[(6,8-dimethyl-2-oxo-3H-quinolin-3-yl)methyl-[(2-ethylphenyl)carbamothioyl]amino]ethyl-diethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=S)N(CCN(CC)CC)CC2=CC3C=C(C(=CC3=NC2=O)OC)OC

DOS

IR

Vibrations