Geometry & MOs

Info

ID:	172003
PubChem CID:	75452646
Reduced:	FSN3O4H12C14 (1)
Stoich.:	ABC3D4E12F14 (1)
Weight, g/mol:	396.13192
ΔH_f, kcal/mol:	-91.07
Dipole, Da:	1.4
IP(EA), eV:	-9.62(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-difluoro-N-[[2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C2=NOC(=N2)C3=CC(=C(O3)C)S(=O)(=O)N)F

DOS

IR

Vibrations