Geometry & MOs

Info

ID:	237918
PubChem CID:	92722607
Reduced:	ClSN3O5C22H26 (1)
Stoich.:	ABC3D5E22F26 (1)
Weight, g/mol:	410.162391
ΔH_f, kcal/mol:	-169.55
Dipole, Da:	6.51
IP(EA), eV:	-9.05(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1,2-dimethyl-N-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CN(CC(=O)N1CC2=CC=CC=C2OC)S(=O)(=O)C)C(=O)NCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations