Geometry & MOs

Info

ID:

179626

PubChem CID:

76513662

Reduced:

O2N3F6C24H25 (2)

Stoich.:

A2B3C6D24E25 (2)

Weight, g/mol:

596.303242

ΔHf, kcal/mol:

-739.4

Dipole, Da:

14.2

IP(EA), eV:

 -8.54(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl 2-[[1,2-diphenyl-2-(pyrrolidine-2-carbonylamino)ethyl]carbamothioylamino]butanedioate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=CC(=CNC2CCCCC2NC=C3C=C(C=C(C3=O)C(C)(C)C)CNC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C1=O)CNC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations