Geometry & MOs

Info

ID:	60380
PubChem CID:	26683952
Reduced:	SN3O4C26H35 (1)
Stoich.:	AB3C4D26E35 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	-159.25
Dipole, Da:	4.0
IP(EA), eV:	-9.16(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-methyl-4-oxo-N-[(1R)-1-phenylethyl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)CCC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C)C)C3=CC=CC=C3

DOS

IR

Vibrations