Geometry & MOs

Info

ID:	205136
PubChem CID:	80059499
Reduced:	NSF2C15H15 (1)
Stoich.:	ABC2D15E15 (1)
Weight, g/mol:	270.032621
ΔH_f, kcal/mol:	-52.2
Dipole, Da:	2.71
IP(EA), eV:	-8.87(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3,5-difluoro-4-(3-fluorophenyl)sulfanylphenyl]methanol

Drug info:

PubChemData

Smile

CCNCC1=C(C=CC(=C1)F)SC2=CC=CC(=C2)F

DOS

IR

Vibrations