Geometry & MOs

Info

ID:	381651
PubChem CID:	134972448
Reduced:	NSO5C19H31 (1)
Stoich.:	ABC5D19E31 (1)
Weight, g/mol:	342.125594
ΔH_f, kcal/mol:	-252.18
Dipole, Da:	5.34
IP(EA), eV:	-9.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-benzylidene-5,6-diphenyl-1,4-dioxan-2-one

Drug info:

PubChemData

Smile

CC1([C@@H]2CCC13CS(=O)(=O)N(C3C2)C(=O)CCCCC4OCCCO4)C

DOS

IR

Vibrations