Geometry & MOs

Info

ID:	232871
PubChem CID:	87577325
Reduced:	SN3O6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	493.130757
ΔH_f, kcal/mol:	-202.08
Dipole, Da:	10.31
IP(EA), eV:	-8.93(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-acetyl-2-[(E)-[5-(benzenesulfonamido)-2-oxo-1H-indol-3-ylidene]methyl]-5-methyl-1H-pyrrol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)NC1=CC\2=C(C=C1)NC(=O)/C2=C/C3=C(C4=C(N3)CCCC4=O)CCC(=O)O

DOS

IR

Vibrations