Geometry & MOs

Info

ID:

57538

PubChem CID:

22405483

Reduced:

F3N4O7C25H25 (1)

Stoich.:

A3B4C7D25E25 (1)

Weight, g/mol:

644.245784

ΔHf, kcal/mol:

-412.44

Dipole, Da:

7.26

IP(EA), eV:

 -8.91(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(dimethylamino)ethyl 4-[[2-oxo-1-[2-oxo-2-[(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)amino]ethyl]-6-phenylpyridin-3-yl]carbamoyloxymethyl]benzoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(F)(F)F)NC(=O)CN1C(=CC=C(C1=O)NC(=O)OCN2C(=O)CCC2=O)C3=CC=CC=C3

DOS

IR

Vibrations