Geometry & MOs

Info

ID:	137816
PubChem CID:	52267130
Reduced:	NSO3C23H29 (1)
Stoich.:	ABC3D23E29 (1)
Weight, g/mol:	356.069448
ΔH_f, kcal/mol:	-114.89
Dipole, Da:	7.64
IP(EA), eV:	-9.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-[(2R)-oxolan-2-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(C)(C)C)S(=O)(=O)CC2=CC=C(C=C2)C(=O)N3CCCC3

DOS

IR

Vibrations