Geometry & MOs

Info

ID:	175020
PubChem CID:	75846387
Reduced:	SN3O3C20H21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	417.09139
ΔH_f, kcal/mol:	-62.7
Dipole, Da:	1.69
IP(EA), eV:	-8.63(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[[2-(2-chlorophenyl)-2-methoxyacetyl]amino]-1,3-benzothiazol-2-yl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)OC

DOS

IR

Vibrations