Geometry & MOs

Info

ID:	273301
PubChem CID:	103770858
Reduced:	N4O4C13H22 (1)
Stoich.:	A4B4C13D22 (1)
Weight, g/mol:	324.09662
ΔH_f, kcal/mol:	-101.47
Dipole, Da:	5.83
IP(EA), eV:	-10.18(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfanyl)-N-(2-hydroxy-4-methylpentyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC(=O)NCC(CC(C)C)O)C)[N+](=O)[O-]

DOS

IR

Vibrations