Geometry & MOs

Info

ID:	164172
PubChem CID:	74382173
Reduced:	SN3O5H25C27 (1)
Stoich.:	AB3C5D25E27 (1)
Weight, g/mol:	558.230077
ΔH_f, kcal/mol:	-87.62
Dipole, Da:	5.13
IP(EA), eV:	-8.51(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-yl)-2-oxo-3-[phenyl-[4-(pyrrolidin-1-ylmethyl)anilino]methylidene]-1H-indole-5-sulfonamide

Drug info:

PubChemData

Smile

C1CC1CNS(=O)(=O)C2=CC3=C(C=C2)NC(=O)C3=C(C4=CC=CC=C4)NC5=CC6=C(C=C5)OCCO6

DOS

IR

Vibrations