Geometry & MOs

Info

ID:	297162
PubChem CID:	117611160
Reduced:	SO3N5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	408.123383
ΔH_f, kcal/mol:	-15.01
Dipole, Da:	4.7
IP(EA), eV:	-9.12(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-fluoro-3-nitrophenyl)-1-oxospiro[2,3-dihydropyrazino[1,2-a]indole-4,1'-cyclobutane]-7-carboxamide

Drug info:

PubChemData

Smile

C=CC(=O)NCC1=CSC(=N1)NC(=O)C2=CC3=C(C=C2)C=C4N3C5(CCC5)CNC4=O

DOS

IR

Vibrations