Geometry & MOs

Info

ID:	190793
PubChem CID:	78058316
Reduced:	SN2O2F3C10H15 (1)
Stoich.:	AB2C2D3E10F15 (1)
Weight, g/mol:	586.19548
ΔH_f, kcal/mol:	-242.48
Dipole, Da:	3.89
IP(EA), eV:	-9.31(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxolan-2-yl N-(3-amino-2-fluoropropyl)-N-[1-[1-benzyl-4-(3-bromophenyl)imidazol-2-yl]-2,2-dimethylpropyl]carbamate

Drug info:

PubChemData

Smile

CNC1=NC2C(S1)CC(C(C2O)O)CC(F)(F)F

DOS

IR

Vibrations