Geometry & MOs

Info

ID:	199002
PubChem CID:	79186914
Reduced:	SN2O2C11H22 (1)
Stoich.:	AB2C2D11E22 (1)
Weight, g/mol:	302.110042
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	2.97
IP(EA), eV:	-9.18(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethylpiperazin-1-yl)sulfonyl-3-fluorophenyl]methanol

Drug info:

PubChemData

Smile

CC1CN(CC1C)S(=O)(=O)CCNC2CC2

DOS

IR

Vibrations