Geometry & MOs

Info

ID:	309698
PubChem CID:	126555129
Reduced:	ClIN3C9H9 (1)
Stoich.:	ABC3D9E9 (1)
Weight, g/mol:	357.142367
ΔH_f, kcal/mol:	77.44
Dipole, Da:	5.14
IP(EA), eV:	-9.84(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 2-[[hydroxy-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxy]methyl]amino]-5-oxohept-6-enoate

Drug info:

PubChemData

Smile

CC(=N)C1=C(N=C(C=C1)Cl)C(=NC)I

DOS

IR

Vibrations