Geometry & MOs

Info

ID:	222376
PubChem CID:	85297292
Reduced:	N2P2C11O11H16 (1)
Stoich.:	A2B2C11D11E16 (1)
Weight, g/mol:	414.167853
ΔH_f, kcal/mol:	-561.42
Dipole, Da:	17.33
IP(EA), eV:	-10.68(-2.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)O)O)O)C(=O)N

DOS

IR

Vibrations