Geometry & MOs

Info

ID:

215317

PubChem CID:

85084535

Reduced:

O8N11C39H59 (1)

Stoich.:

A8B11C39D59 (1)

Weight, g/mol:

809.502427

ΔHf, kcal/mol:

-314.0

Dipole, Da:

5.76

IP(EA), eV:

 -7.88(-0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)pentan-2-yl]-2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]-3-phenylpropanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(=O)NC(CC(=O)NCCCCC(C(=O)N2CCCC2C(=O)NC(C(=O)N1)CC3=CNC4=CC=CC=C43)NC(=O)C(CCCN=C(N)N)NC)C(=O)O

DOS

IR

Vibrations