Geometry & MOs

Info

ID:	32781
PubChem CID:	7848298
Reduced:	SN2O4C17H22 (1)
Stoich.:	AB2C4D17E22 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-154.73
Dipole, Da:	5.11
IP(EA), eV:	-9.51(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-methoxyanilino)-2-oxoethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)COC(=O)C1=CC2=C(C=C1)SCCC(=O)N2

DOS

IR

Vibrations