Geometry & MOs

Info

ID:	226207
PubChem CID:	87350055
Reduced:	SF3N3O3H24C27 (1)
Stoich.:	AB3C3D3E24F27 (1)
Weight, g/mol:	269.093104
ΔH_f, kcal/mol:	-211.1
Dipole, Da:	5.91
IP(EA), eV:	-9.03(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-[(4-hydroxycyclohexyl)amino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)O)N1CC2=C(C1=O)C=CC(=C2)C3=CC=C(C=C3)NC(=S)NC4=CC=CC(=C4)C(F)(F)F

DOS

IR

Vibrations