Geometry & MOs

Info

ID:

220004

PubChem CID:

85165134

Reduced:

FO4N8C33H39 (1)

Stoich.:

AB4C8D33E39 (1)

Weight, g/mol:

630.19304

ΔHf, kcal/mol:

-135.66

Dipole, Da:

5.57

IP(EA), eV:

 -8.66(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-amino-5-[[3-[[3-[2-amino-3-(benzylamino)-3-oxopropyl]-1H-indol-2-yl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)NC(CC2=CC=C(C=C2)F)C(=O)NC(CC3=CC=C(C=C3)N=C(N)N)C(=O)NC(CCCN)C(=O)N

DOS

IR

Vibrations