Geometry & MOs

Info

ID:	232583
PubChem CID:	87576463
Reduced:	ON2S2C7H14 (1)
Stoich.:	AB2C2D7E14 (1)
Weight, g/mol:	462.139113
ΔH_f, kcal/mol:	6.93
Dipole, Da:	11.1
IP(EA), eV:	-6.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(E)-[6-(3,5-difluorophenyl)-2-oxo-1H-indol-3-ylidene]methyl]-4-oxo-1,5,6,7-tetrahydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)N(C(=S)S1(C)C)C)N

DOS

IR

Vibrations