Geometry & MOs

Info

ID:	273479
PubChem CID:	103771190
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	258.194343
ΔH_f, kcal/mol:	-99.64
Dipole, Da:	3.79
IP(EA), eV:	-9.08(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-N-(2-hydroxy-4-methylpentyl)-3-methylbutanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations