Geometry & MOs

Info

ID:

298158

PubChem CID:

117647831

Reduced:

O6C13H20 (2)

Stoich.:

A6B13C20 (2)

Weight, g/mol:

478.198298

ΔHf, kcal/mol:

-557.61

Dipole, Da:

3.54

IP(EA), eV:

 -10.1(0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[(4-amino-3-chlorobenzoyl)amino]-3,3-dimethylbutanoyl]-N-(2-methyl-5-oxooxolan-3-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2OC(=O)C)OC(=O)C)OCC=C)COC(=O)C)OC(=O)C)C)C

DOS

IR

Vibrations