Geometry & MOs

Info

ID:	307498
PubChem CID:	125307150
Reduced:	SN2O5H14C16 (1)
Stoich.:	AB2C5D14E16 (1)
Weight, g/mol:	346.062343
ΔH_f, kcal/mol:	-113.83
Dipole, Da:	9.89
IP(EA), eV:	-8.68(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[(4-methoxyphenyl)sulfonylamino]-2H-indole-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC=CC3=N[C@@H]2C(=O)O

DOS

IR

Vibrations