Geometry & MOs

Info

ID:	237921
PubChem CID:	92722668
Reduced:	SN4O7C18H24 (1)
Stoich.:	AB4C7D18E24 (1)
Weight, g/mol:	410.162391
ΔH_f, kcal/mol:	-257.58
Dipole, Da:	4.83
IP(EA), eV:	-9.04(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1,2-dimethyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-methylsulfonyl-6-oxopiperazine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CN(CC(=O)N1C)S(=O)(=O)C)C(=O)NCC(=O)NCC2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations