Geometry & MOs

Info

ID:	140452
PubChem CID:	52699800
Reduced:	O2N4C29H32 (1)
Stoich.:	A2B4C29D32 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-10.97
Dipole, Da:	6.09
IP(EA), eV:	-8.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]-4-(dimethylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=CC(=C(C=C2)C)NC(=O)/C=C/C3=CN(C4=CC=CC=C43)CCC#N)C

DOS

IR

Vibrations