Geometry & MOs

Info

ID:	32925
PubChem CID:	7849490
Reduced:	NSO5C21H23 (1)
Stoich.:	ABC5D21E23 (1)
Weight, g/mol:	304.142307
ΔH_f, kcal/mol:	-181.49
Dipole, Da:	5.41
IP(EA), eV:	-8.69(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] (E)-3-(2-methylphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)OC(=O)C3=C(C=CC(=C3)S(=O)(=O)C)C

DOS

IR

Vibrations