Geometry & MOs

Info

ID:	66742
PubChem CID:	46505181
Reduced:	BrClSN2O3C18H18 (1)
Stoich.:	ABCD2E3F18G18 (1)
Weight, g/mol:	518.06234
ΔH_f, kcal/mol:	-99.36
Dipole, Da:	9.52
IP(EA), eV:	-8.49(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-acetyl-5-bromo-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-methyl-2,3-dihydroindole-6-sulfonamide

Drug info:

PubChemData

Smile

CC1CC2=CC(=C(C=C2N1C(=O)C)S(=O)(=O)NC3=CC(=C(C=C3)C)Cl)Br

DOS

IR

Vibrations