Geometry & MOs

Info

ID:	159683
PubChem CID:	57288622
Reduced:	SC3O3H8 (1)
Stoich.:	AB3C3D8 (1)
Weight, g/mol:	458.175419
ΔH_f, kcal/mol:	-159.55
Dipole, Da:	2.32
IP(EA), eV:	-9.12(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[C-(4-fluorophenyl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]carbonimidoyl]-5-nitro-1,3-dihydroindol-2-one

Drug info:

PubChemData

Smile

C(CS)C(O)(O)O

DOS

IR

Vibrations