Geometry & MOs

Info

ID:

402420

PubChem CID:

135055908

Reduced:

SN2O6C29H40 (1)

Stoich.:

AB2C6D29E40 (1)

Weight, g/mol:

548.288637

ΔHf, kcal/mol:

-193.85

Dipole, Da:

4.81

IP(EA), eV:

 -8.49(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2,6-di(propan-2-yl)phenyl] (2S)-2-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-naphthalen-2-ylmethyl]-2-nitrobutanoate

Drug info:

PubChemData

Smile

CC[C@]([C@@H](C1=CC=C(C=C1)SC)NC(=O)OC(C)(C)C)(C(=O)OC2=C(C=CC=C2C(C)C)C(C)C)[N+](=O)[O-]

DOS

IR

Vibrations