Geometry & MOs

Info

ID:	129027
PubChem CID:	51067116
Reduced:	SF3N3O3H16C19 (1)
Stoich.:	AB3C3D3E16F19 (1)
Weight, g/mol:	457.203528
ΔH_f, kcal/mol:	-202.25
Dipole, Da:	2.93
IP(EA), eV:	-8.97(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[4,5-dimethyl-2-(4-methylbenzoyl)imino-1,3-thiazol-3-yl]propanoyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CSC(=NC(=O)C2=CC(=CC=C2)C(F)(F)F)N1CC(=O)NCC3=CC=CO3

DOS

IR

Vibrations