Geometry & MOs

Info

ID:	390511
PubChem CID:	134999508
Reduced:	NSO7C10H13 (1)
Stoich.:	ABC7D10E13 (1)
Weight, g/mol:	306.059362
ΔH_f, kcal/mol:	-241.64
Dipole, Da:	4.93
IP(EA), eV:	-10.79(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-5-piperidin-1-yl-1,2-thiazol-3-yl)-phenylmethanone

Drug info:

PubChemData

Smile

CC1=C(S(=O)(=O)N=C1OC(C(=O)OC)C(=O)OC)C

DOS

IR

Vibrations