Geometry & MOs

Info

ID:	404904
PubChem CID:	135071695
Reduced:	BrFNOH17C18 (1)
Stoich.:	ABCDE17F18 (1)
Weight, g/mol:	485.202465
ΔH_f, kcal/mol:	-31.22
Dipole, Da:	3.89
IP(EA), eV:	-9.59(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-3-hydroxy-1,3-diphenylpent-4-yn-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide

Drug info:

PubChemData

Smile

CN(C1=CC=CC=C1Br)C(=O)C(CC=C)C2=CC=C(C=C2)F

DOS

IR

Vibrations