Geometry & MOs

Info

ID:	61829
PubChem CID:	26713613
Reduced:	ClSN3O4C23H28 (1)
Stoich.:	ABC3D4E23F28 (1)
Weight, g/mol:	425.192626
ΔH_f, kcal/mol:	-158.63
Dipole, Da:	1.83
IP(EA), eV:	-8.77(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)Cl)C

DOS

IR

Vibrations