Geometry & MOs

Info

ID:

184352

PubChem CID:

77150442

Reduced:

FN2O6C25H43 (1)

Stoich.:

AB2C6D25E43 (1)

Weight, g/mol:

684.289005

ΔHf, kcal/mol:

-364.57

Dipole, Da:

2.89

IP(EA), eV:

 -9.02(0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 4-[3-[5-chloro-2-fluoro-4-[(1-methylindole-3-carbonyl)amino]phenyl]-1-(3-fluoropyrrolidin-1-yl)-2-oxo-1-pyrrolidin-1-ylpropoxy]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(CC1)OC(C(=O)OC(C)(C)C)(N2CCCC2)N3CCCC3(COC)F

DOS

IR

Vibrations