Geometry & MOs

Info

ID:	332146
PubChem CID:	127250432
Reduced:	FO2N5C24H26 (1)
Stoich.:	AB2C5D24E26 (1)
Weight, g/mol:	418.086639
ΔH_f, kcal/mol:	-58.31
Dipole, Da:	5.82
IP(EA), eV:	-9.18(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(3-chlorophenyl)pyridin-2-yl]-4-(1-methylimidazol-4-yl)sulfonylmorpholine

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)NCCC(=O)N2CCOC(C2)C3=NC=C(C=C3)C4=CC=CC=C4F)C

DOS

IR

Vibrations