Geometry & MOs

Info

ID:	444750
PubChem CID:	135263424
Reduced:	ClSN2O3H17C19 (1)
Stoich.:	ABC2D3E17F19 (1)
Weight, g/mol:	444.091056
ΔH_f, kcal/mol:	-71.19
Dipole, Da:	2.96
IP(EA), eV:	-8.94(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-acetyl-N-[3-chloro-2-[[2-methyl-4-(4-methyl-1,3-thiazol-2-yl)phenoxy]methyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NC(=CS2)C)OCC3=C(C=CC=C3Cl)NC(=O)O

DOS

IR

Vibrations