Geometry & MOs

Info

ID:	186315
PubChem CID:	77419716
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	401.168581
ΔH_f, kcal/mol:	-175.11
Dipole, Da:	6.19
IP(EA), eV:	-9.48(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-2-(1-acetyloxy-2,3-dihydroxypropyl)-4-ethoxy-5-prop-2-enyl-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)C12CC1C=CCCCCCC(C(=O)N3CCCC3C(=O)N2)C

DOS

IR

Vibrations