Geometry & MOs

Info

ID:	89789
PubChem CID:	49964557
Reduced:	ON5C11H11 (1)
Stoich.:	AB5C11D11 (1)
Weight, g/mol:	455.144967
ΔH_f, kcal/mol:	56.56
Dipole, Da:	5.87
IP(EA), eV:	-10.3(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-11-(2-phenylethyl)-4-thia-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,5-trien-8-one

Drug info:

PubChemData

Smile

CC1(C2=NN=NN2C3=CC=CC=C3C(=O)N1)C

DOS

IR

Vibrations