Geometry & MOs

Info

ID:	381449
PubChem CID:	134972191
Reduced:	N4O5C22H24 (1)
Stoich.:	A4B5C22D24 (1)
Weight, g/mol:	340.115818
ΔH_f, kcal/mol:	-175.65
Dipole, Da:	3.84
IP(EA), eV:	-8.9(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,4aR,6R,7R,8R,8aR)-7,8-dihydroxy-2-(4-methoxyphenyl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-6-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CC1CN(C(=O)CN1C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations