Geometry & MOs

Info

ID:	89787
PubChem CID:	49964537
Reduced:	OS2N5C23H29 (1)
Stoich.:	AB2C5D23E29 (1)
Weight, g/mol:	324.071468
ΔH_f, kcal/mol:	38.02
Dipole, Da:	3.67
IP(EA), eV:	-8.91(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(oxolan-2-ylmethyl)-5-sulfanylidene-4-thia-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-8-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CCSC2=NN3C(=O)C4=C(CCN(C4)CCC5=CC=CC=C5)N=C3S2

DOS

IR

Vibrations