Geometry & MOs

Info

ID:	121333
PubChem CID:	50763779
Reduced:	ClN4O5H21C23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	516.02
ΔH_f, kcal/mol:	-79.55
Dipole, Da:	2.85
IP(EA), eV:	-8.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(4-chlorophenyl)-5-methyltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)OCC3=C(OC(=N3)C4=C(C=C(C=C4)OC)OC)C

DOS

IR

Vibrations