Geometry & MOs

Info

ID:	89765
PubChem CID:	49964416
Reduced:	S2O3N5C22H25 (1)
Stoich.:	A2B3C5D22E25 (1)
Weight, g/mol:	380.097683
ΔH_f, kcal/mol:	-32.48
Dipole, Da:	3.58
IP(EA), eV:	-9.26(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC2=C1N=C3N(C2=O)N=C(S3)SCC(=O)N4CCOCC4)CCC5=CC=CC=C5

DOS

IR

Vibrations