Geometry & MOs

Info

ID:	32783
PubChem CID:	7848314
Reduced:	SN2O4C19H24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-158.17
Dipole, Da:	4.64
IP(EA), eV:	-9.5(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-cyanoanilino)-2-oxoethyl] 4-methylpentanoate

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

DOS

IR

Vibrations