Geometry & MOs

Info

ID:	236316
PubChem CID:	92712333
Reduced:	S2N3O4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	405.081698
ΔH_f, kcal/mol:	-111.64
Dipole, Da:	6.64
IP(EA), eV:	-8.83(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-2-(9-oxo-7-thia-2,10-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,5,11,13-pentaen-10-yl)acetamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)C[C@@H]1NC(=O)CN2C(=O)CSC3=CC=CN3C4=CC=CC=C42

DOS

IR

Vibrations