Geometry & MOs

Info

ID:	187015
PubChem CID:	77518695
Reduced:	SN2O2H8C12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	333.093583
ΔH_f, kcal/mol:	-8.47
Dipole, Da:	3.04
IP(EA), eV:	-9.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-oxo-3-thiomorpholin-4-yl-7,9-dihydroacenaphthyleno[1,2-b]pyrrole-9-carbonitrile

Drug info:

PubChemData

Smile

C1=CSC2=C3C=CC(=CC3=NC(=O)C21)C(=O)N

DOS

IR

Vibrations