Geometry & MOs

Info

ID:	448637
PubChem CID:	135292401
Reduced:	BrNO3C10H14 (1)
Stoich.:	ABC3D10E14 (1)
Weight, g/mol:	421.130757
ΔH_f, kcal/mol:	-86.97
Dipole, Da:	2.54
IP(EA), eV:	-9.49(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-6-(cyclopropylidenemethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C/C(=C(\N=C(/C)\C(=O)O)/OCC1CC1)/Br

DOS

IR

Vibrations