Geometry & MOs

Info

ID:	312815
PubChem CID:	126608876
Reduced:	O3H14C16 (1)
Stoich.:	A3B14C16 (1)
Weight, g/mol:	604.303618
ΔH_f, kcal/mol:	-69.25
Dipole, Da:	1.9
IP(EA), eV:	-9.25(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4aR,6S)-7-[(2S,4R,5S)-4,5-dimethyl-6-(phenylmethoxymethyl)oxan-2-yl]oxy-6-methoxy-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=C(C=C(C=C1)C2=CC=CC=C2)O

DOS

IR

Vibrations