Geometry & MOs

Info

ID:	32543
PubChem CID:	7842957
Reduced:	NSO3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	290.126657
ΔH_f, kcal/mol:	-60.45
Dipole, Da:	4.82
IP(EA), eV:	-9.17(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations