Geometry & MOs

Info

ID:

215666

PubChem CID:

85085052

Reduced:

O11C75H76 (1)

Stoich.:

A11B75C76 (1)

Weight, g/mol:

1155.505917

ΔHf, kcal/mol:

-231.27

Dipole, Da:

4.08

IP(EA), eV:

 -8.93(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[6-amino-1-[[1-[[4-carboxy-1-[[1-[(1-carboxy-2-sulfanylethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(C(O4)CC5C(C(C(C(O5)COCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)OCC9=CC=CC=C9)O)OCC1=CC=CC=C1)OCC1=CC=CC=C1

DOS

IR

Vibrations