Geometry & MOs

Info

ID:

438638

PubChem CID:

135228382

Reduced:

N5O7C39H65 (1)

Stoich.:

A5B7C39D65 (1)

Weight, g/mol:

477.258734

ΔHf, kcal/mol:

-322.19

Dipole, Da:

5.58

IP(EA), eV:

 -9.02(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-(4-methylanilino)-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)NC(C(C)C)N[C@@H](CC1=CC=CC=C1)C(=O)OCC=C)OC)N(C)C(=O)[C@H](C(C)C)NC(=C)[C@H](C(C)C)N(C)C(=O)O

DOS

IR

Vibrations