Geometry & MOs

Info

ID:	141660
PubChem CID:	52910018
Reduced:	SN4O4C26H30 (1)
Stoich.:	AB4C4D26E30 (1)
Weight, g/mol:	277.202836
ΔH_f, kcal/mol:	-81.99
Dipole, Da:	5.23
IP(EA), eV:	-8.32(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R)-1-(azepan-1-yl)-2-(1,5,6,8-tetrahydroimidazo[1,2-a]pyrazin-4-ium-7-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)CN[C@H](C3=CC=CC=C3)C(=O)N4CCCCC4)OC

DOS

IR

Vibrations