Geometry & MOs

Info

ID:	186481
PubChem CID:	77439099
Reduced:	NOC10H19 (1)
Stoich.:	ABC10D19 (1)
Weight, g/mol:	400.170831
ΔH_f, kcal/mol:	-78.2
Dipole, Da:	3.99
IP(EA), eV:	-8.87(2.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethylsulfanyl-7-methyl-2-phenyl-8-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine

Drug info:

PubChemData

Smile

CC(C)(C1CC2CNCC2C1)O

DOS

IR

Vibrations