Geometry & MOs

Info

ID:	395595
PubChem CID:	135025925
Reduced:	NSF3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	425.92892
ΔH_f, kcal/mol:	-239.97
Dipole, Da:	6.83
IP(EA), eV:	-9.23(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dibromo-2-prop-2-ynoxyphenyl)-phenylmethoxymethanol

Drug info:

PubChemData

Smile

C[C@]1(C2=C(C=CC(=C2)C(F)(F)F)N(C1=O)C)CS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations