Geometry & MOs

Info

ID:	170350
PubChem CID:	75219386
Reduced:	FN2O3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	547.177707
ΔH_f, kcal/mol:	-14.91
Dipole, Da:	2.69
IP(EA), eV:	-9.16(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[[5-(benzenesulfonamido)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrol-3-yl]propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C[N+](=O)[O-])C2(C3=C(C=CC(=C3)F)NC2=O)C4=CC=CC=C4

DOS

IR

Vibrations