Geometry & MOs

Info

ID:	39700
PubChem CID:	8141980
Reduced:	SN3O4C16H17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	347.093977
ΔH_f, kcal/mol:	-43.01
Dipole, Da:	9.04
IP(EA), eV:	-9.18(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-2-(2-nitrophenoxy)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC(=N2)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations