Geometry & MOs

Info

ID:	371651
PubChem CID:	131269814
Reduced:	SN2O4H8C9 (1)
Stoich.:	AB2C4D8E9 (1)
Weight, g/mol:	302.97563
ΔH_f, kcal/mol:	-103.87
Dipole, Da:	4.01
IP(EA), eV:	-9.46(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-iodo-4-methoxy-2,3-dihydroinden-1-one

Drug info:

PubChemData

Smile

CC1=CN2C(=C(SC2=N1)C(=O)O)C(=O)OC

DOS

IR

Vibrations