Geometry & MOs

Info

ID:	411737
PubChem CID:	135084571
Reduced:	NO4C11H11 (1)
Stoich.:	AB4C11D11 (1)
Weight, g/mol:	649.287532
ΔH_f, kcal/mol:	-149.26
Dipole, Da:	4.51
IP(EA), eV:	-10.41(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-aminonaphthalen-1-yl)naphthalen-2-yl]-3-[(R)-[(4S,5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl]thiourea

Drug info:

PubChemData

Smile

C[C@@H](C(O)O)N1C(=O)C2=CC=CC=C2C1=O

DOS

IR

Vibrations