Geometry & MOs

Info

ID:	404382
PubChem CID:	135066054
Reduced:	ClO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	542.04286
ΔH_f, kcal/mol:	-98.56
Dipole, Da:	3.28
IP(EA), eV:	-9.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5S)-5-(4-bromophenyl)-1-diphenylphosphoryl-4,5-dimethyl-2-sulfanylideneimidazolidine-4-carboxylate

Drug info:

PubChemData

Smile

CC(=O)C(C1C(C2C3=CC=CC=C3C1O2)Cl)C(=O)C

DOS

IR

Vibrations