Geometry & MOs

Info

ID:	333611
PubChem CID:	127252163
Reduced:	ClSO2N4C22H25 (1)
Stoich.:	ABC2D4E22F25 (1)
Weight, g/mol:	404.190006
ΔH_f, kcal/mol:	-14.61
Dipole, Da:	2.87
IP(EA), eV:	-8.63(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(2-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-3-phenylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2(CCCN(CC2)C3=NC=CN=C3)O)CCOC4=CC=C(C=C4)Cl

DOS

IR

Vibrations