Geometry & MOs

Info

ID:	440574
PubChem CID:	135230571
Reduced:	F2O4N7C30H31 (1)
Stoich.:	A2B4C7D30E31 (1)
Weight, g/mol:	382.183897
ΔH_f, kcal/mol:	-107.72
Dipole, Da:	5.66
IP(EA), eV:	-8.96(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,20S,21S,22R)-2,5,8,11,14,17,23-heptaoxabicyclo[17.3.1]tricosane-20,21,22-triol

Drug info:

PubChemData

Smile

CCN1C[C@H]([C@@H](O1)C2=CC(=C(C=C2)F)F)NC(=O)NC3=C(C(=NN3C4=CC=CC=C4)C5=CC(=C(N=C5)OC)C(=O)NC)C

DOS

IR

Vibrations