Geometry & MOs

Info

ID:

219200

PubChem CID:

85091506

Reduced:

N2O8C43H56 (1)

Stoich.:

A2B8C43D56 (1)

Weight, g/mol:

734.338775

ΔHf, kcal/mol:

-282.89

Dipole, Da:

9.12

IP(EA), eV:

 -8.4(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-amino-2-[[2-[[2-[[2-(2-aminoprop-2-enoylamino)-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C(C4C3=O)N7CCN(CC7)C)C(=O)C5(OC6(C)C)CC=CC(=O)OC)O)C)C

DOS

IR

Vibrations