Geometry & MOs

Info

ID:	375663
PubChem CID:	134220722
Reduced:	BrClSN2O3H16C24 (1)
Stoich.:	ABCD2E3F16G24 (1)
Weight, g/mol:	436.168145
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	6.22
IP(EA), eV:	-9.37(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-5-[ethyl(formyl)amino]-N-methyl-2-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]imidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1=C(NC2=C(C=CC(=C2C1=O)Cl)Br)SCC3=NC=C(C=C3)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations