Geometry & MOs

Info

ID:	260993
PubChem CID:	103213379
Reduced:	ClISN3C13H13 (1)
Stoich.:	ABCD3E13F13 (1)
Weight, g/mol:	418.97852
ΔH_f, kcal/mol:	103.42
Dipole, Da:	3.58
IP(EA), eV:	-9.39(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-tert-butyl-2-(3-chloro-4-iodophenyl)-1,3-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

C1CC1NCCC2=NN=C(S2)C3=CC(=C(C=C3)I)Cl

DOS

IR

Vibrations