Geometry & MOs

Info

ID:	394269
PubChem CID:	135022663
Reduced:	NO2C7H11 (1)
Stoich.:	AB2C7D11 (1)
Weight, g/mol:	610.183246
ΔH_f, kcal/mol:	-39.53
Dipole, Da:	17.22
IP(EA), eV:	-8.44(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2S,4R,5R)-5-acetamido-4-acetyloxy-2-pyridin-2-ylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate

Drug info:

PubChemData

Smile

C1C2CC1(C[NH2+]C2)C(=O)[O-]

DOS

IR

Vibrations