Geometry & MOs

Info

ID:	63962
PubChem CID:	26759572
Reduced:	SN2O4C22H28 (1)
Stoich.:	AB2C4D22E28 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-149.91
Dipole, Da:	4.25
IP(EA), eV:	-8.72(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,4-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)CCC(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations