Geometry & MOs

Info

ID:	63955
PubChem CID:	26759559
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-149.75
Dipole, Da:	6.54
IP(EA), eV:	-9.13(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CNC(=O)C2=CC(=C(C=C2)C)C)C

DOS

IR

Vibrations