Geometry & MOs

Info

ID:

178301

PubChem CID:

76310013

Reduced:

ON2S2H10C14 (1)

Stoich.:

AB2C2D10E14 (1)

Weight, g/mol:

675.150774

ΔHf, kcal/mol:

61.97

Dipole, Da:

4.48

IP(EA), eV:

 -9.36(-1.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[6-[(6-chloro-3H-benzimidazol-5-yl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carbonyl]oxypropyl-dimethylazanium;2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C(/C=C\2/C(=O)NC(=S)S2)\C#N

DOS

IR

Vibrations