Geometry & MOs

Info

ID:	394076
PubChem CID:	135022295
Reduced:	NO6C14H19 (1)
Stoich.:	AB6C14D19 (1)
Weight, g/mol:	398.172939
ΔH_f, kcal/mol:	-215.64
Dipole, Da:	2.91
IP(EA), eV:	-9.61(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,5S)-12-hydroxy-5-(methoxymethoxy)-3-methyl-10-phenylmethoxy-3,4,5,8-tetrahydro-2-benzoxecin-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NC[C@@H]([C@H]([C@H]2[C@@H](O2)CO)O)O

DOS

IR

Vibrations