Geometry & MOs

Info

ID:	34357
PubChem CID:	7890910
Reduced:	NO4H21C22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	332.083078
ΔH_f, kcal/mol:	-122.24
Dipole, Da:	3.68
IP(EA), eV:	-9.14(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzylcarbamoylamino)-2-oxoethyl] 2-thiophen-2-ylacetate

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)COC(=O)C1=C(C2=CC=CC=C2C=C1)O)C3=CC=CC=C3

DOS

IR

Vibrations