Geometry & MOs

Info

ID:

307657

PubChem CID:

125307930

Reduced:

N2O4H14C17 (1)

Stoich.:

A2B4C14D17 (1)

Weight, g/mol:

628.373704

ΔHf, kcal/mol:

15.76

Dipole, Da:

3.48

IP(EA), eV:

 -9.03(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[5-[(3R)-1-[(2S)-butan-2-yl]-4-[[(3R)-4,6-dimethyl-2-oxo-3H-pyridin-3-yl]methylcarbamoyl]-3-methyl-2,3-dihydroindol-6-yl]pyridin-2-yl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1C(=C2C=CC=CC2=N1)[C@@H](C[N+](=O)[O-])C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations