Geometry & MOs

Info

ID:	244452
PubChem CID:	99355574
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	430.14749
ΔH_f, kcal/mol:	-25.96
Dipole, Da:	9.98
IP(EA), eV:	-10.11(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-(8-methylimidazo[1,2-a]pyridin-2-yl)ethanone

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)NC(=O)C2=CC=C(C=C2)N3C=NN=C3

DOS

IR

Vibrations