Geometry & MOs

Info

ID:	437155
PubChem CID:	135215317
Reduced:	N9O13C33H43 (1)
Stoich.:	A9B13C33D43 (1)
Weight, g/mol:	308.110732
ΔH_f, kcal/mol:	-475.54
Dipole, Da:	10.61
IP(EA), eV:	-9.26(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3,5-dihydroxy-2-methoxy-6-(methoxymethyl)oxan-4-yl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CO[C@H]1C(C(OC(C1O)OC)COC(=O)CCC(=O)NCCNC(=O)CCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=O)N=C(N4)N)O

DOS

IR

Vibrations