Geometry & MOs

Info

ID:	179645
PubChem CID:	76516030
Reduced:	NPC11O12H22 (1)
Stoich.:	ABC11D12E22 (1)
Weight, g/mol:	522.122396
ΔH_f, kcal/mol:	-617.77
Dipole, Da:	2.83
IP(EA), eV:	-10.39(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2-formamido-3-hydroxypropyl) [2,3,4,5-tetrahydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexyl] phosphate

Drug info:

PubChemData

Smile

C(C(C(COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O)NC=O)O)O

DOS

IR

Vibrations