Geometry & MOs

Info

ID:	150659
PubChem CID:	53790353
Reduced:	ClSN5H20C23 (1)
Stoich.:	ABC5D20E23 (1)
Weight, g/mol:	586.438596
ΔH_f, kcal/mol:	114.77
Dipole, Da:	2.64
IP(EA), eV:	-8.23(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methyldecyl] 4-[2-(6-decoxynaphthalen-2-yl)ethyl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC2=NC3=C(C=CC(=C3)NCCC4=CC=CS4)N5C2=CN=C5

DOS

IR

Vibrations