Geometry & MOs

Info

ID:

215479

PubChem CID:

85084800

Reduced:

N7O10C52H63 (1)

Stoich.:

A7B10C52D63 (1)

Weight, g/mol:

946.3385

ΔHf, kcal/mol:

-377.62

Dipole, Da:

3.18

IP(EA), eV:

 -8.53(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[2-carboxy-2-[3-[naphthalen-1-ylmethyl(naphthalen-2-ylmethyl)carbamoyl]oxirane-2-carbonyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C)C(CC1=CNC2=CC=CC=C21)C(=O)N(C)C(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)NC(CC(=O)OCC4=CC=CC=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)N

DOS

IR

Vibrations