Geometry & MOs

Info

ID:	297034
PubChem CID:	117606697
Reduced:	ClFO2N5C17H21 (1)
Stoich.:	ABC2D5E17F21 (1)
Weight, g/mol:	408.172832
ΔH_f, kcal/mol:	-69.18
Dipole, Da:	2.74
IP(EA), eV:	-9.12(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-[[(1R)-1-[4-chloro-3-[6-(dimethylamino)pyridin-3-yl]oxy-2-fluorophenyl]propyl]amino]propyl]formamide

Drug info:

PubChemData

Smile

CC[C@H](C1=C(C(=C(C=C1)Cl)OC2=NC=C(N=C2)N)F)N[C@H](C)CNC=O

DOS

IR

Vibrations