Geometry & MOs

Info

ID:	326215
PubChem CID:	126687176
Reduced:	ClOF2N7C24H26 (1)
Stoich.:	ABC2D7E24F26 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-35.22
Dipole, Da:	10.62
IP(EA), eV:	-7.83(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cyclohexyloxane-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)C(=O)NC2=CC(=CC=C2)F)CNC3=C(CN/C(=C\4/C=NC5C4=CC(=CN5)Cl)/N3)F

DOS

IR

Vibrations