Geometry & MOs

Info

ID:	43896
PubChem CID:	10321946
Reduced:	IN3O6H14C15 (1)
Stoich.:	AB3C6D14E15 (1)
Weight, g/mol:	458.00482
ΔH_f, kcal/mol:	-190.77
Dipole, Da:	8.69
IP(EA), eV:	-9.84(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-2-amino-5-[[6-bromo-1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]-1H-imidazol-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CN2C(=O)C(=CN(C2=O)C[C@H](C(=O)O)N)I)C(=O)O

DOS

IR

Vibrations