Geometry & MOs

Info

ID:	32545
PubChem CID:	7842959
Reduced:	NSO3H23C24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	402.157957
ΔH_f, kcal/mol:	-61.3
Dipole, Da:	3.11
IP(EA), eV:	-8.93(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)-4-methylanilino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate

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