Geometry & MOs

Info

ID:	229943
PubChem CID:	87569604
Reduced:	O2N4F6H26C31 (1)
Stoich.:	A2B4C6D26E31 (1)
Weight, g/mol:	378.11802
ΔH_f, kcal/mol:	-252.61
Dipole, Da:	5.59
IP(EA), eV:	-9.57(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(Z)-4-amino-2-fluorobut-2-enoxy]-N-cyclohexylbenzenesulfonamide;hydrochloride

Drug info:

PubChemData

Smile

C1CC1[C@@H](C(=O)NC(CC2=C(C=C(C=C2)C#N)F)C#N)N[C@@H](C3=CC=C(C=C3)C4=CC=C(C=C4)[C@H](C(F)F)O)C(F)(F)F

DOS

IR

Vibrations