Geometry & MOs

Info

ID:	146983
PubChem CID:	53776914
Reduced:	S2O3N4C32H37 (1)
Stoich.:	A2B3C4D32E37 (1)
Weight, g/mol:	488.235145
ΔH_f, kcal/mol:	-31.11
Dipole, Da:	4.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.970924
Charge, e:	0

Chem-info

IUPAC name:

3-benzhydryl-6,6-bis(2-phenylethyl)oxane-2,4-dione

Drug info:

PubChemData

Smile

CCN1C(SC2=CC=CC=C21)C=C3C(=NCCCNC(=O)OC(C)(C)C)C(=CC4=[N+](C5=CC=CC=C5S4)CC)C3=O

DOS

IR

Vibrations