Geometry & MOs

Info

ID:

325516

PubChem CID:

126683729

Reduced:

NO2C16H16 (2)

Stoich.:

AB2C16D16 (2)

Weight, g/mol:

575.195329

ΔHf, kcal/mol:

-99.98

Dipole, Da:

4.89

IP(EA), eV:

 -8.91(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[2-[(2-methylpropan-2-yl)oxycarbonyl-[(1R)-1-naphthalen-1-ylethyl]amino]ethyl]-3,4-dihydronaphthalen-1-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC2=CC=CC=C21)NC[C@H]3C[C@H](C4=CC=CC=C4O3)C5=CC(=CC=C5)C(=O)NC(C)C(=O)O

DOS

IR

Vibrations