Geometry & MOs

Info

ID:

336863

PubChem CID:

127255870

Reduced:

NO6C13H18 (2)

Stoich.:

AB6C13D18 (2)

Weight, g/mol:

472.194897

ΔHf, kcal/mol:

-518.54

Dipole, Da:

6.66

IP(EA), eV:

 -9.64(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[[(2R)-2-[(R)-[tert-butyl(dimethyl)silyl]oxy-(6-chloropyridin-3-yl)methyl]-3,4-dihydro-2H-pyrrol-5-yl]methyl]benzoate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCOCCNC(=O)OCC2=CC=CC=C2)COC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations