Geometry & MOs

Info

ID:	365248
PubChem CID:	127317593
Reduced:	S2N3O3C17H27 (1)
Stoich.:	A2B3C3D17E27 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	-117.61
Dipole, Da:	5.47
IP(EA), eV:	-9.3(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylcinnolin-4-one

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations