Geometry & MOs

Info

ID:	65086
PubChem CID:	29204448
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-113.44
Dipole, Da:	5.5
IP(EA), eV:	-9.27(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(3-piperidin-1-ylsulfonylanilino)butan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(=O)N/C(=C/C1=CC=CC=C1)/C(=O)NC2=CC(=CC=C2)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations