Geometry & MOs

Info

ID:

406442

PubChem CID:

135077654

Reduced:

N2O4C35H36 (1)

Stoich.:

A2B4C35D36 (1)

Weight, g/mol:

660.331171

ΔHf, kcal/mol:

-74.22

Dipole, Da:

7.94

IP(EA), eV:

 -8.99(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R)-2-[[(2R)-2-[[2-(benzhydrylideneamino)acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)(C)N(C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O)C(=O)CN=C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations