Geometry & MOs

Info

ID:	219422
PubChem CID:	85148641
Reduced:	N4O5C28H34 (1)
Stoich.:	A4B5C28D34 (1)
Weight, g/mol:	506.17631
ΔH_f, kcal/mol:	-168.39
Dipole, Da:	5.33
IP(EA), eV:	-8.75(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-ethylsulfanyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzoate

Drug info:

PubChemData

Smile

CCC1=C2CN3C(=CC(=C(C3=O)COC(=O)C)C(CC)(C(=O)NCCN(C)C)O)C2=NC4=CC=CC=C41

DOS

IR

Vibrations