Geometry & MOs

Info

ID:	182884
PubChem CID:	76949364
Reduced:	NO4C16H23 (1)
Stoich.:	AB4C16D23 (1)
Weight, g/mol:	278.070069
ΔH_f, kcal/mol:	-79.01
Dipole, Da:	6.14
IP(EA), eV:	-8.56(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylsulfanyl-N-(2,3,5-trifluorophenyl)butanamide

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C=C(CC(C)C)[N+](=O)[O-])OC

DOS

IR

Vibrations