Geometry & MOs

Info

ID:	220417
PubChem CID:	85189537
Reduced:	O4N5C18H19 (1)
Stoich.:	A4B5C18D19 (1)
Weight, g/mol:	369.157623
ΔH_f, kcal/mol:	-73.72
Dipole, Da:	3.06
IP(EA), eV:	-8.93(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[(5-oxo-2-prop-2-ynyloxolane-2-carbonyl)amino]hex-5-enoate

Drug info:

PubChemData

Smile

C1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)N4C=NC5=C(N=CN=C54)N)O

DOS

IR

Vibrations