Geometry & MOs

Info

ID:	64745
PubChem CID:	29203940
Reduced:	ClFSN3O4C22H25 (1)
Stoich.:	ABCD3E4F22G25 (1)
Weight, g/mol:	477.17337
ΔH_f, kcal/mol:	-173.88
Dipole, Da:	7.22
IP(EA), eV:	-9.34(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

CS(=O)(=O)CC[C@@H](C(=O)N1CCN(CC1)C2=CC=CC=C2F)NC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations