Geometry & MOs

Info

ID:	395854
PubChem CID:	135026730
Reduced:	SO2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	395.194402
ΔH_f, kcal/mol:	-47.2
Dipole, Da:	2.54
IP(EA), eV:	-8.76(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[1-ethoxy-1-(phenylmethoxycarbonylamino)propan-2-yl]propanedioate

Drug info:

PubChemData

Smile

CC12C3=C(CC(C(=O)N1)(NC2=O)SC)C4=CC=CC=C4N3

DOS

IR

Vibrations