Geometry & MOs

Info

ID:	324358
PubChem CID:	126677505
Reduced:	Cl2O2N3C13H15 (1)
Stoich.:	A2B2C3D13E15 (1)
Weight, g/mol:	677.282447
ΔH_f, kcal/mol:	-22.67
Dipole, Da:	2.63
IP(EA), eV:	-9.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[2-[[4-[(5S)-3-ethyl-4-oxa-1-azatricyclo[4.4.0.03,8]decan-5-yl]quinolin-6-yl]carbamothioylamino]naphthalen-1-yl]naphthalen-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)OC(=O)CCCCCCN=[N+]=[N-])Cl

DOS

IR

Vibrations