Geometry & MOs

Info

ID:	364853
PubChem CID:	127316302
Reduced:	S2N3O3C18H29 (1)
Stoich.:	A2B3C3D18E29 (1)
Weight, g/mol:	354.151433
ΔH_f, kcal/mol:	-130.94
Dipole, Da:	8.1
IP(EA), eV:	-8.94(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-indazol-1-ylethanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3CCCN(C3)S(=O)(=O)CC

DOS

IR

Vibrations