Geometry & MOs

Info

ID:

188370

PubChem CID:

77705538

Reduced:

FNO2C16H18 (3)

Stoich.:

ABC2D16E18 (3)

Weight, g/mol:

628.2203

ΔHf, kcal/mol:

-331.09

Dipole, Da:

3.76

IP(EA), eV:

 -8.69(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 3-[(2-nitrophenyl)sulfonyl-[[2-(3,4,5-trimethoxyphenyl)pyridin-3-yl]methyl]amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN4C5=C(C=C(C=C5)C6=CC=CC(=C6)CN7CCOCC7)N=C4C8=CC(=CC=C8)OCC(=O)O)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations