Geometry & MOs

Info

ID:	15271
PubChem CID:	435573
Reduced:	N2O8C17H22 (1)
Stoich.:	A2B8C17D22 (1)
Weight, g/mol:	382.137616
ΔH_f, kcal/mol:	-323.54
Dipole, Da:	6.79
IP(EA), eV:	-8.46(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-hydroxy-1H-indol-3-yl)-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]propanoic acid

Drug info:

PubChemData

Smile

C1C(C(C(C(O1)(CNC(CC2=CNC3=C2C=C(C=C3)O)C(=O)O)O)O)O)O

DOS

IR

Vibrations