Geometry & MOs

Info

ID:	229748
PubChem CID:	87568787
Reduced:	SO6C17H24 (1)
Stoich.:	AB6C17D24 (1)
Weight, g/mol:	491.165663
ΔH_f, kcal/mol:	-255.83
Dipole, Da:	5.52
IP(EA), eV:	-9.58(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[4-[(Z)-3-(cyclopropylamino)-2-(3,4-difluorophenyl)-3-oxoprop-1-enyl]benzoyl]amino]methyl]-N-hydroxybenzamide

Drug info:

PubChemData

Smile

CO[C@@H]1CC[C@@H]([C@@H](C1)COS(=O)(=O)C)C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations