Geometry & MOs

Info

ID:	346277
PubChem CID:	127270781
Reduced:	SN3O4C19H27 (1)
Stoich.:	AB3C4D19E27 (1)
Weight, g/mol:	398.177647
ΔH_f, kcal/mol:	-167.28
Dipole, Da:	11.29
IP(EA), eV:	-9.04(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN3CCCC3=O)C

DOS

IR

Vibrations