Geometry & MOs

Info

ID:	435406
PubChem CID:	135191377
Reduced:	NOSC8H8 (2)
Stoich.:	ABCD8E8 (2)
Weight, g/mol:	387.179421
ΔH_f, kcal/mol:	46.78
Dipole, Da:	5.38
IP(EA), eV:	-8.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9R,10S,13S)-4,8,10-trihydroxy-15,17-dimethylspiro[17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-13,5'-imidazolidine]-2',4'-dione

Drug info:

PubChemData

Smile

CCCS(=O)O/N=C/1\C(=C(/C#N)\C2=CC=CC=C2C)\C=CS1

DOS

IR

Vibrations