Geometry & MOs

Info

ID:	156602
PubChem CID:	56371305
Reduced:	BrClSO4H14C16 (1)
Stoich.:	ABCD4E14F16 (1)
Weight, g/mol:	406.005802
ΔH_f, kcal/mol:	-124.23
Dipole, Da:	3.37
IP(EA), eV:	-9.47(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-chlorothiophen-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C(=O)OC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations