Geometry & MOs

Info

ID:	371028
PubChem CID:	127341864
Reduced:	SN3O3C18H27 (1)
Stoich.:	AB3C3D18E27 (1)
Weight, g/mol:	376.168145
ΔH_f, kcal/mol:	-116.75
Dipole, Da:	4.59
IP(EA), eV:	-8.9(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-(1H-pyrazol-5-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCS(=O)(=O)C1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

DOS

IR

Vibrations