Geometry & MOs

Info

ID:	139540
PubChem CID:	52551696
Reduced:	ClOSN5H12C20 (1)
Stoich.:	ABCD5E12F20 (1)
Weight, g/mol:	415.110296
ΔH_f, kcal/mol:	127.51
Dipole, Da:	12.79
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-benzoxazol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=NC(=N2)C(=O)NC3=CC(=C(C=C3)Cl)C#N)C4=CC=CS4

DOS

IR

Vibrations