Geometry & MOs

Info

ID:	393598
PubChem CID:	135021179
Reduced:	F3N4O4C25H29 (1)
Stoich.:	A3B4C4D25E29 (1)
Weight, g/mol:	329.083413
ΔH_f, kcal/mol:	-293.28
Dipole, Da:	3.53
IP(EA), eV:	-9.21(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-(cyanomethylidene)-3-methyl-1-(4-methylphenyl)sulfonyl-2-oxopiperidine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1N2C[C@@H](C(C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)O)(C4=CN=CC=C4)O

DOS

IR

Vibrations