Geometry & MOs

Info

ID:

215351

PubChem CID:

85084582

Reduced:

N4O10C45H70 (1)

Stoich.:

A4B10C45D70 (1)

Weight, g/mol:

827.333749

ΔHf, kcal/mol:

-464.04

Dipole, Da:

5.27

IP(EA), eV:

 -8.65(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[2-[3-(benzylcarbamoyl)oxirane-2-carbonyl]hydrazinyl]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)O)C)OC2C(C(CC(O2)C)C)O)(C)O)C)CCCN(CCC#N)C(=O)NC3=CC=CC4=CC=CC=C43)C)O)(C)O

DOS

IR

Vibrations