Geometry & MOs

Info

ID:	218236
PubChem CID:	85089070
Reduced:	BrFSN2O4H15C17 (1)
Stoich.:	ABCD2E4F15G17 (1)
Weight, g/mol:	442.10472
ΔH_f, kcal/mol:	-160.1
Dipole, Da:	5.35
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.918717
Charge, e:	0

Chem-info

IUPAC name:

Se-phenyl 2-[2-(4-cyclopropyl-4-phenylbut-3-enyl)-1,3-dioxolan-2-yl]ethaneselenoate

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=C2C=CSC2C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F

DOS

IR

Vibrations