Geometry & MOs

Info

ID:	179916
PubChem CID:	76554959
Reduced:	N3O3C27H31 (1)
Stoich.:	A3B3C27D31 (1)
Weight, g/mol:	471.069688
ΔH_f, kcal/mol:	-55.6
Dipole, Da:	3.84
IP(EA), eV:	-8.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-[3-chloro-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]indole-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC2=CC(=CN=C12)C(C)N3CCC(C3)O)NC(=O)C4=CC=C(C=C4)OCC5CC5

DOS

IR

Vibrations