Geometry & MOs

Info

ID:	417204
PubChem CID:	135091632
Reduced:	ClFSN2O4C14H18 (1)
Stoich.:	ABCD2E4F14G18 (1)
Weight, g/mol:	321.241627
ΔH_f, kcal/mol:	-199.89
Dipole, Da:	4.43
IP(EA), eV:	-9.79(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-hydroxyethyl)piperazin-1-yl]-[(1S,2S,4R)-2-(3-methylbut-2-enyl)-7-azabicyclo[2.2.1]heptan-2-yl]methanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations