Geometry & MOs

Info

ID:	376547
PubChem CID:	134222565
Reduced:	OF2N2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	604.190417
ΔH_f, kcal/mol:	-230.66
Dipole, Da:	4.26
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[(5-sulfamoyl-2,3-dihydro-1H-inden-1-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-phenylindazole-3-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCC2=C(C1)C(=NN2)C(=O)N3CCC(CC3)C4=C(C(=CC=C4)F)C(F)(F)F

DOS

IR

Vibrations