Geometry & MOs

Info

ID:

215202

PubChem CID:

85084357

Reduced:

O8N11C35H51 (1)

Stoich.:

A8B11C35D51 (1)

Weight, g/mol:

754.280985

ΔHf, kcal/mol:

-326.42

Dipole, Da:

7.16

IP(EA), eV:

 -8.48(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[2-[4-(benzylamino)-4-oxobut-2-enoyl]-2-(carboxymethyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]amino]-4-[[3-carboxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1CC2C(=O)NC(C(=O)NC(CCC(=O)NC(C(=O)NC(C(=O)N2C1)CCCCN)CCCN=C(N)N)C(=O)NCC(=O)O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations