Geometry & MOs

Info

ID:	178341
PubChem CID:	76312585
Reduced:	BrO2H15C21 (1)
Stoich.:	AB2C15D21 (1)
Weight, g/mol:	552.161346
ΔH_f, kcal/mol:	34.98
Dipole, Da:	1.98
IP(EA), eV:	-9.5(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-amino-2-[2-[(4-amino-5-ethoxycarbonyl-3-phenyl-1,3-thiazol-2-ylidene)amino]ethylimino]-3-phenyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)[C@@H]3[C@H](O3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations