Geometry & MOs

Info

ID:

223279

PubChem CID:

85334783

Reduced:

N17O19C65H105 (1)

Stoich.:

A17B19C65D105 (1)

Weight, g/mol:

1429.210054

ΔHf, kcal/mol:

-906.52

Dipole, Da:

17.65

IP(EA), eV:

 -8.32(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

5-[[3-[2-(4-arsorosoanilino)-2-oxoethyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-[6-[2-[5-(3-ethyl-1,1-dimethyl-6,8-disulfobenzo[e]indol-2-ylidene)penta-1,3-dienyl]-1,1-dimethyl-6,8-disulfobenzo[e]indol-3-ium-3-yl]hexanoylamino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)N

DOS

IR

Vibrations