Geometry & MOs

Info

ID:	179464
PubChem CID:	76486210
Reduced:	SCl2F3O8C35H37 (1)
Stoich.:	AB2C3D8E35F37 (1)
Weight, g/mol:	366.02266
ΔH_f, kcal/mol:	-452.56
Dipole, Da:	5.1
IP(EA), eV:	-9.23(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-bromoethenyl)-1-[5-fluoro-2,3-dihydroxy-2-(hydroxymethyl)cyclopentyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCCCCC=CC=CC(C(C(C(F)(F)F)(Cl)Cl)O)SC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)O

DOS

IR

Vibrations