Geometry & MOs

Info

ID:	129030
PubChem CID:	51067165
Reduced:	SCl2O2N3C18H19 (1)
Stoich.:	AB2C2D3E18F19 (1)
Weight, g/mol:	445.167142
ΔH_f, kcal/mol:	-62.49
Dipole, Da:	2.82
IP(EA), eV:	-8.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-[2-(3-methoxybenzoyl)imino-4-methyl-1,3-thiazol-3-yl]acetyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC(=NC(=O)C2=C(C=C(C=C2)Cl)Cl)N1CC(=O)N3CCCC3)C

DOS

IR

Vibrations