Geometry & MOs

Info

ID:	185846
PubChem CID:	77358350
Reduced:	ON3C15H17 (2)
Stoich.:	AB3C15D17 (2)
Weight, g/mol:	611.200941
ΔH_f, kcal/mol:	65.69
Dipole, Da:	5.19
IP(EA), eV:	-8.78(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(5-methyl-7-oxo-3,9a-dihydro-2H-furo[2,3-f]quinolin-2-yl)methyl]-3-tritylsulfanylpropanamide;hydrochloride

Drug info:

PubChemData

Smile

CCC1=C(C(=NC(=N1)CC)OCC2=CC=C(C=C2)C3=CC=CC=C3C4NNNN4)CC5=CC=C(C=C5)CO

DOS

IR

Vibrations