Geometry & MOs

Info

ID:	150289
PubChem CID:	53789977
Reduced:	N4O5C12H16 (1)
Stoich.:	A4B5C12D16 (1)
Weight, g/mol:	368.144616
ΔH_f, kcal/mol:	-102.72
Dipole, Da:	10.44
IP(EA), eV:	-8.54(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-6-(2-methylpropyl)-6-phenyloxane-2,4-dione

Drug info:

PubChemData

Smile

COC(=NC(=O)CNC(=O)NC1=CC=C(C=C1)COO)N

DOS

IR

Vibrations