Geometry & MOs

Info

ID:	297727
PubChem CID:	117627296
Reduced:	N6O6C37H50 (1)
Stoich.:	A6B6C37D50 (1)
Weight, g/mol:	206.070796
ΔH_f, kcal/mol:	-214.79
Dipole, Da:	6.44
IP(EA), eV:	-9.09(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxooct-1-en-2-ylphosphonic acid

Drug info:

PubChemData

Smile

CCC[C@@H](C(=O)C(=O)NC1CC1)NC(=O)[C@@H]2CC3=CC=CC=C3CC2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)C4=NC=CN=C4

DOS

IR

Vibrations