Geometry & MOs

Info

ID:	61434
PubChem CID:	26709379
Reduced:	SN2O2H18C22 (1)
Stoich.:	AB2C2D18E22 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	11.55
Dipole, Da:	2.51
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-3-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)COC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations