Geometry & MOs

Info

ID:	221256
PubChem CID:	85261723
Reduced:	BrPH12C13 (2)
Stoich.:	ABC12D13 (2)
Weight, g/mol:	560.234493
ΔH_f, kcal/mol:	86.11
Dipole, Da:	3.19
IP(EA), eV:	-8.57(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]-5-ethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(P(C(=C1C)Br)C2=CC=CC=C2)C=CC3=C(C(=C(P3C4=CC=CC=C4)Br)C)C

DOS

IR

Vibrations