Geometry & MOs

Info

ID:	232139
PubChem CID:	87575591
Reduced:	BrN2O4H17C20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	520.155826
ΔH_f, kcal/mol:	-120.28
Dipole, Da:	11.82
IP(EA), eV:	-9.16(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C(=O)C1)C(=C(N2)/C=C/3\C4=C(C=CC(=C4)Br)NC3=O)CCC(=O)O

DOS

IR

Vibrations