Geometry & MOs

Info

ID:	161185
PubChem CID:	57390983
Reduced:	BrClFN2O3C19H19 (1)
Stoich.:	ABCD2E3F19G19 (1)
Weight, g/mol:	468.136446
ΔH_f, kcal/mol:	-110.48
Dipole, Da:	4.58
IP(EA), eV:	-8.56(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chlorophenyl)-2-[[(2R)-4-[(4-fluorophenyl)methyl]-5-oxomorpholin-2-yl]methylamino]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1C2=CC(=C(C(=C2)Br)OC)OC)C3=CC(=C(C=C3)OC)F.Cl

DOS

IR

Vibrations