Geometry & MOs

Info

ID:	237910
PubChem CID:	92722539
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-177.54
Dipole, Da:	3.5
IP(EA), eV:	-8.54(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CN2C(=O)CN(C[C@@]2(C)C(=O)NCC3=CC=C(C=C3)C)S(=O)(=O)C

DOS

IR

Vibrations