Geometry & MOs

Info

ID:

46939

PubChem CID:

10528543

Reduced:

NSO10H17C21 (1)

Stoich.:

ABC10D17E21 (1)

Weight, g/mol:

475.181787

ΔHf, kcal/mol:

-345.2

Dipole, Da:

4.79

IP(EA), eV:

 -9.74(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (2E)-2-[[4-methoxy-2-[[(2-methylpropan-2-yl)oxycarbonyl-(2,2,2-trifluoroethyl)amino]methyl]phenyl]methylidene]butanedioate

Drug info:

PubChemData

Smile

CC(=O)OCC1=C(C2[C@@H]([C@@H](C2=O)NC(=O)C3=CC4=CC=CC=C4OC3=O)S(=O)(=O)C1)C(=O)O

DOS

IR

Vibrations