Geometry & MOs

Info

ID:	166341
PubChem CID:	74673481
Reduced:	F2O4N5C19H24 (1)
Stoich.:	A2B4C5D19E24 (1)
Weight, g/mol:	461.185866
ΔH_f, kcal/mol:	-187.21
Dipole, Da:	4.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760388
Charge, e:	1

Chem-info

IUPAC name:

ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[2-(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC[NH+](CC(=O)C1C(N(C(=O)NC1=O)C2CC2)N)CC(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations