Geometry & MOs

Info

ID:	231145
PubChem CID:	87572758
Reduced:	NOF6H13C14 (1)
Stoich.:	ABC6D13E14 (1)
Weight, g/mol:	404.150285
ΔH_f, kcal/mol:	-337.1
Dipole, Da:	4.96
IP(EA), eV:	-10.14(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carboxy-(4,5-ditert-butyl-2-chloro-6-phenylpyridin-3-yl)carbamic acid

Drug info:

PubChemData

Smile

C[C@H]1[C@H](CCC(=O)N1CC(F)(F)F)C2=C(C(=CC(=C2)F)F)F

DOS

IR

Vibrations