Geometry & MOs

Info

ID:	237923
PubChem CID:	92722703
Reduced:	SN4O7C19H28 (1)
Stoich.:	AB4C7D19E28 (1)
Weight, g/mol:	440.172956
ΔH_f, kcal/mol:	-271.35
Dipole, Da:	5.01
IP(EA), eV:	-8.42(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(4-ethoxyphenyl)methylamino]-2-oxoethyl]-1,2-dimethyl-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=C(C=CC(=C2)OC)OC

DOS

IR

Vibrations