Geometry & MOs

Info

ID:	306017
PubChem CID:	125000488
Reduced:	SN3O4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	327.133139
ΔH_f, kcal/mol:	-115.32
Dipole, Da:	8.94
IP(EA), eV:	-9.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1,3-oxazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)[C@H]2CN(CCO2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations