Geometry & MOs

Info

ID:	63975
PubChem CID:	26759598
Reduced:	SN3O5C21H29 (1)
Stoich.:	AB3C5D21E29 (1)
Weight, g/mol:	355.178358
ΔH_f, kcal/mol:	-211.83
Dipole, Da:	3.69
IP(EA), eV:	-8.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2-(4-methoxyphenyl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C2=C(NC(=C2C)C(=O)OCC)C)C

DOS

IR

Vibrations