Geometry & MOs

Info

ID:	273630
PubChem CID:	103771521
Reduced:	N2O5C14H20 (1)
Stoich.:	A2B5C14D20 (1)
Weight, g/mol:	306.140199
ΔH_f, kcal/mol:	-132.49
Dipole, Da:	7.02
IP(EA), eV:	-9.94(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-N-(2-hydroxy-4-methylpentyl)propanamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-])O

DOS

IR

Vibrations