Geometry & MOs

Info

ID:	144645
PubChem CID:	53392729
Reduced:	O3C14H16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	409.246438
ΔH_f, kcal/mol:	-113.85
Dipole, Da:	3.81
IP(EA), eV:	-9.82(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,2R,3R,6S,7R)-7-[(3,4-dimethoxyphenyl)methoxy]-3-hydroxy-N-methoxy-N,2,4,6-tetramethyloct-4-enamide

Drug info:

PubChemData

Smile

CCC(=O)C1[C@@H]([C@@H](OC1=O)C2=CC=CC=C2)C

DOS

IR

Vibrations