Geometry & MOs

Info

ID:	243287
PubChem CID:	99218190
Reduced:	ClSF2N2O2H11C17 (1)
Stoich.:	ABC2D2E2F11G17 (1)
Weight, g/mol:	415.055754
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	7.49
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)Cl)F

DOS

IR

Vibrations