Geometry & MOs

Info

ID:	243886
PubChem CID:	99300568
Reduced:	NCl2O3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	356.075012
ΔH_f, kcal/mol:	-91.31
Dipole, Da:	1.77
IP(EA), eV:	-8.95(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-2-(2-chlorophenyl)-N-ethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C1=CC(=C(C=C1)Cl)Cl)C(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations