Geometry & MOs

Info

ID:	243565
PubChem CID:	99226861
Reduced:	N2S2F3O5H11C15 (1)
Stoich.:	A2B2C3D5E11F15 (1)
Weight, g/mol:	360.132136
ΔH_f, kcal/mol:	-239.23
Dipole, Da:	5.92
IP(EA), eV:	-9.7(-2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-5-methoxy-2-nitrobenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=CC=C2SC(F)(F)F

DOS

IR

Vibrations