Geometry & MOs

Info

ID:	35842
PubChem CID:	7980394
Reduced:	NS2O3C19H19 (1)
Stoich.:	AB2C3D19E19 (1)
Weight, g/mol:	368.137222
ΔH_f, kcal/mol:	-73.41
Dipole, Da:	5.58
IP(EA), eV:	-9.1(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]acetate

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations