Geometry & MOs

Info

ID:

435248

PubChem CID:

135186114

Reduced:

OS2N7C26H35 (1)

Stoich.:

AB2C7D26E35 (1)

Weight, g/mol:

1209.439712

ΔHf, kcal/mol:

51.89

Dipole, Da:

10.52

IP(EA), eV:

 -8.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-amino-2-carboxyethyl)sulfanyl-4-[[2-[2-[2-[2-[2-[3-[[2-[2-[3-aminopropyl-[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]amino]-2-oxoethyl]sulfanyl-1-carboxyethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=C(N=C2N1N=C(S2)N3CCC(CC3)C(=O)N4CCN(CC4)C)C5=CC=C(C=C5)N6CCSCC6

DOS

IR

Vibrations