Geometry & MOs

Info

ID:	221915
PubChem CID:	85292748
Reduced:	NSO6H17C19 (1)
Stoich.:	ABC6D17E19 (1)
Weight, g/mol:	387.168188
ΔH_f, kcal/mol:	-210.23
Dipole, Da:	4.21
IP(EA), eV:	-9.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-2-(4-methoxyphenyl)-6-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

Drug info:

PubChemData

Smile

CCOC(=O)C12C3C(C(=O)OC3=O)C4(S1)C(C5=CC=CC=C5N4C2=O)(C)C

DOS

IR

Vibrations