Geometry & MOs

Info

ID:	78855
PubChem CID:	49738087
Reduced:	ClOSN4C16H19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	408.102289
ΔH_f, kcal/mol:	-3.47
Dipole, Da:	2.94
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[2-[(5-chloropyridin-2-yl)amino]-1,3-thiazol-4-yl]acetyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)CC2=CSC(=N2)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations