Geometry & MOs

Info

ID:	219565
PubChem CID:	85149215
Reduced:	O5N6C31H36 (1)
Stoich.:	A5B6C31D36 (1)
Weight, g/mol:	574.235539
ΔH_f, kcal/mol:	-107.28
Dipole, Da:	1.86
IP(EA), eV:	-9.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-5-(3-methoxycarbonylnaphthalen-1-yl)-2-(trityloxymethyl)pentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C(=O)NC(COCC1=CC=CC=C1C2=CC=CC=C2)C3=NN=C4N3C(=CC=C4)COC(=O)N5CCOCC5)N

DOS

IR

Vibrations