Geometry & MOs

Info

ID:	145129
PubChem CID:	53468331
Reduced:	NSO6H15C17 (1)
Stoich.:	ABC6D15E17 (1)
Weight, g/mol:	704.228929
ΔH_f, kcal/mol:	-100.63
Dipole, Da:	3.99
IP(EA), eV:	-9.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[2-chloro-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenyl]methyl]phenyl]-3-tritylimidazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)/C(=C/[C@@H](C[N+](=O)[O-])C1=CC=CC=C1)/OC(=O)C2=CC=CS2

DOS

IR

Vibrations