Geometry & MOs

Info

ID:	47269
PubChem CID:	10531035
Reduced:	ClSN2O2H31C34 (1)
Stoich.:	ABC2D2E31F34 (1)
Weight, g/mol:	566.98408
ΔH_f, kcal/mol:	23.66
Dipole, Da:	1.96
IP(EA), eV:	-8.75(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-5-methyl-1H-imidazol-4-yl)-2,4-bis(6-bromo-1H-indol-3-yl)-1H-imidazol-5-one

Drug info:

PubChemData

Smile

CCOC(=O)C1C(=NN(C12C[C@@H](S[C@@H](C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl

DOS

IR

Vibrations