Geometry & MOs

Info

ID:	42963
PubChem CID:	10317436
Reduced:	MnN2O9C11H18 (1)
Stoich.:	AB2C9D11E18 (1)
Weight, g/mol:	377.093309
ΔH_f, kcal/mol:	-330.15
Dipole, Da:	8.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.952471
Charge, e:	0

Chem-info

IUPAC name:

(1-methylindol-5-yl) 3,4,5-trimethoxybenzenesulfonate

Drug info:

PubChemData

Smile

C(C(CN(CC(=O)O)CC(=O)O)O)N(CC(=O)O)CC(=O)O.[Mn+2]

DOS

IR

Vibrations