Geometry & MOs

Info

ID:	139428
PubChem CID:	52530061
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	371.176644
ΔH_f, kcal/mol:	-72.2
Dipole, Da:	3.35
IP(EA), eV:	-8.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1S)-1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2-propan-2-ylsulfonylpropanamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=CC=[N+](C=C2)[O-])C3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations