Geometry & MOs

Info

ID:	304376
PubChem CID:	124568462
Reduced:	ClO2N4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	349.065176
ΔH_f, kcal/mol:	21.87
Dipole, Da:	4.02
IP(EA), eV:	-9.13(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-(4-chlorophenyl)thiomorpholin-4-yl]-(6-methoxypyridazin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CN(C[C@H]1OC2=CC=CC=C2Cl)C(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations