Geometry & MOs

Info

ID:	185393
PubChem CID:	77295218
Reduced:	SO3N5C22H27 (1)
Stoich.:	AB3C5D22E27 (1)
Weight, g/mol:	570.172619
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	6.37
IP(EA), eV:	-8.54(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[4-[[(6-carbamoyl-2-oxo-1H-indol-3-ylidene)-phenylmethyl]amino]phenyl]methylamino]acetate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)C3C4=CC=CC=C4CN3)C(NN2)C5=CC(=CC=C5)S(=O)(=O)N

DOS

IR

Vibrations