Geometry & MOs

Info

ID:	199012
PubChem CID:	79187145
Reduced:	FNSO5C11H14 (1)
Stoich.:	ABCD5E11F14 (1)
Weight, g/mol:	297.139865
ΔH_f, kcal/mol:	-225.34
Dipole, Da:	3.32
IP(EA), eV:	-10.1(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]methanol

Drug info:

PubChemData

Smile

CCOCCNS(=O)(=O)C1=C(C=C(C=C1)C(=O)O)F

DOS

IR

Vibrations