Geometry & MOs

Info

ID:	237896
PubChem CID:	92722509
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	381.172228
ΔH_f, kcal/mol:	-166.83
Dipole, Da:	3.16
IP(EA), eV:	-9.44(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-methyl-N-[(4-methylphenyl)methyl]-4-methylsulfonyl-6-oxo-1-propylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(=O)CN(C[C@@]1(C)C(=O)NCC2=CC=C(C=C2)C)S(=O)(=O)C

DOS

IR

Vibrations