Geometry & MOs

Info

ID:	320108
PubChem CID:	126658271
Reduced:	FN2C14H18 (2)
Stoich.:	AB2C14D18 (2)
Weight, g/mol:	410.078387
ΔH_f, kcal/mol:	-62.38
Dipole, Da:	1.86
IP(EA), eV:	-8.85(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4R)-4-hydroxy-1,4-bis(4-nitrophenyl)butyl] methanesulfonate

Drug info:

PubChemData

Smile

CC(C)C1=NC2=C(N1)C=CC(=C2F)C(C)(C)CC(C)(C)C3=NC4=C(N3)C=C(C(=C4)F)C(C)(C)C

DOS

IR

Vibrations