Geometry & MOs

Info

ID:	49402
PubChem CID:	11532976
Reduced:	NSO5C26H35 (1)
Stoich.:	ABC5D26E35 (1)
Weight, g/mol:	473.160698
ΔH_f, kcal/mol:	-224.86
Dipole, Da:	2.68
IP(EA), eV:	-9.93(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-2-fluorophenyl]-3-methyl-4-(4-methylthiophen-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@]12CCC3C(C1CC[C@@H]2OC(=O)C4=CC(=CC=C4)S(=O)(=O)N)CCC5[C@@]3(CCC(=O)C5)C

DOS

IR

Vibrations