Geometry & MOs

Info

ID:	237867
PubChem CID:	92722360
Reduced:	S2N3O4C22H27 (1)
Stoich.:	A2B3C4D22E27 (1)
Weight, g/mol:	491.18902
ΔH_f, kcal/mol:	-117.79
Dipole, Da:	3.44
IP(EA), eV:	-8.34(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-butyl-N-[(4-fluorophenyl)methyl]-4-(4-methoxyphenyl)sulfonyl-2-methyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1CC2=CC=C(C=C2)SC)S(=O)(=O)C)C(=O)NCC3=CC=CC=C3

DOS

IR

Vibrations