Geometry & MOs

Info

ID:	232238
PubChem CID:	87575796
Reduced:	ClO3N5C16H22 (1)
Stoich.:	AB3C5D16E22 (1)
Weight, g/mol:	600.088863
ΔH_f, kcal/mol:	-79.98
Dipole, Da:	5.98
IP(EA), eV:	-9.03(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-[5-[(2,6-dichlorophenyl)methylsulfonyl]-2-oxo-1H-indol-3-ylidene]methyl]-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CN=C(C(=C1OC)C)N(C)C2=C(C(=NC(=N2)N)Cl)CC(CO)O

DOS

IR

Vibrations