Geometry & MOs

Info

ID:	360420
PubChem CID:	127301065
Reduced:	O3N5C20H29 (1)
Stoich.:	A3B5C20D29 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-117.55
Dipole, Da:	4.16
IP(EA), eV:	-9.02(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCC2(CC1)C(=O)N(C(=O)N2)CC(=O)N3CCCC(C3)N4C=C(C=N4)C

DOS

IR

Vibrations