Geometry & MOs

Info

ID:	314574
PubChem CID:	126622227
Reduced:	O3N4H10C13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	263.061614
ΔH_f, kcal/mol:	-12.22
Dipole, Da:	6.02
IP(EA), eV:	-9.25(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-acetyl-5-methylsulfanylindol-1-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=CNN(C3=CC2=O)C(=O)O

DOS

IR

Vibrations