Geometry & MOs

Info

ID:	309700
PubChem CID:	126555317
Reduced:	O4F12C27H32 (1)
Stoich.:	A4B12C27D32 (1)
Weight, g/mol:	313.079766
ΔH_f, kcal/mol:	-837.39
Dipole, Da:	4.19
IP(EA), eV:	-9.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]-5-oxohept-6-enoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C1=CC=C(C=C1)C(=O)OC2CC(CC(C2)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O)C(C)C

DOS

IR

Vibrations