Geometry & MOs

Info

ID:	17308
PubChem CID:	492426
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	374.184172
ΔH_f, kcal/mol:	-195.95
Dipole, Da:	4.07
IP(EA), eV:	-9.41(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-acetamido-2-[2-phenylethyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CCCN(CCC1=CC=CC=C1)C(=O)[C@H]2[C@@H](CC=C(O2)C(=O)O)NC(=O)C

DOS

IR

Vibrations