Geometry & MOs

Info

ID:	60375
PubChem CID:	26683946
Reduced:	SN3O5C24H29 (1)
Stoich.:	AB3C5D24E29 (1)
Weight, g/mol:	479.187878
ΔH_f, kcal/mol:	-183.92
Dipole, Da:	6.55
IP(EA), eV:	-9.21(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-N-naphthalen-1-yl-4-oxobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)NC3=CC=C(C=C3)C(=O)C

DOS

IR

Vibrations