Geometry & MOs

Info

ID:

302846

PubChem CID:

124397465

Reduced:

NO2C35H41 (1)

Stoich.:

AB2C35D41 (1)

Weight, g/mol:

480.262422

ΔHf, kcal/mol:

-28.17

Dipole, Da:

3.48

IP(EA), eV:

 -8.51(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2R)-2-[[(3R)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-2-oxo-4,5-dihydro-3H-1-benzazepin-3-yl]amino]-4-phenylbutanoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)[C@@H](CCN(CC[C@@H](C2=CC=CC=C2)C3=C(C=CC(=C3)C)O)C(C)C)C4=CC=CC=C4

DOS

IR

Vibrations