Geometry & MOs

Info

ID:	35738
PubChem CID:	7980268
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	369.194008
ΔH_f, kcal/mol:	-95.06
Dipole, Da:	7.56
IP(EA), eV:	-9.12(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=O)COC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations