Geometry & MOs

Info

ID:

379209

PubChem CID:

134356765

Reduced:

F2N5O5C25H29 (1)

Stoich.:

A2B5C5D25E29 (1)

Weight, g/mol:

1097.407664

ΔHf, kcal/mol:

-206.11

Dipole, Da:

4.58

IP(EA), eV:

 -9.32(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

(2Z)-1-[6-[[1-[3-[[7-amino-1-(2,6-difluorophenoxy)-2-oxoheptan-3-yl]carbamoyl]phenyl]triazol-4-yl]methylamino]-6-oxohexyl]-3,3-dimethyl-2-[(2E,4E)-5-(1,3,3-trimethyl-5-sulfoindol-1-ium-2-yl)penta-2,4-dienylidene]indole-5-sulfonic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)COC1=C(C=CC=C1F)F)NC(=O)C2=CC(=CC=C2)N=[N+]=[N-]

DOS

IR

Vibrations