Geometry & MOs

Info

ID:	189343
PubChem CID:	77842657
Reduced:	FN2O4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-178.3
Dipole, Da:	5.54
IP(EA), eV:	-8.72(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1H-benzimidazol-2-ylmethyl)-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-cyclobutylmethanone

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC=C(C=C2)C(=O)N3CC(CC3CNC(=O)OC)F

DOS

IR

Vibrations