Geometry & MOs

Info

ID:	237860
PubChem CID:	92722203
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	429.172228
ΔH_f, kcal/mol:	-169.4
Dipole, Da:	6.09
IP(EA), eV:	-9.4(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4-(benzenesulfonyl)-N-benzyl-2-methyl-6-oxo-1-propylpiperazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=O)N([C@](C2)(C)C(=O)NCC3=CC=CC=C3)CCCOC

DOS

IR

Vibrations