Geometry & MOs

Info

ID:	187859
PubChem CID:	77635499
Reduced:	ClN4O4H27C28 (1)
Stoich.:	AB4C4D27E28 (1)
Weight, g/mol:	523.197477
ΔH_f, kcal/mol:	-99.51
Dipole, Da:	5.36
IP(EA), eV:	-8.41(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[3-(4-fluorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-4-yl]sulfonyl]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(CC(=O)O)C1=CC=C(C=C1)CN2C=CC=C(C2=O)C3=NC=C(C=C3)NC(=O)NC4=CC=CC=C4.Cl

DOS

IR

Vibrations