Geometry & MOs

Info

ID:

309516

PubChem CID:

126546795

Reduced:

FO5C28H29 (1)

Stoich.:

AB5C28D29 (1)

Weight, g/mol:

1222.409764

ΔHf, kcal/mol:

-151.97

Dipole, Da:

3.91

IP(EA), eV:

 -8.59(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-O-[[4-[[(2S)-5-(carbamoylamino)-2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]pentanoyl]amino]phenyl]methyl] 4-O-[(8R)-8-(chloromethyl)-6-[5-(1H-indole-2-carbonylamino)-1H-indole-2-carbonyl]-1-methyl-7,8-dihydrothieno[3,2-e]indol-4-yl] piperazine-1,4-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H](CC1=CC(=C(C=C1F)OC)OCC2=CC=CC=C2)[C@]34C[C@H](C(=O)C=C3OCO4)C(C)C#C

DOS

IR

Vibrations