Geometry & MOs

Info

ID:	68744
PubChem CID:	46509019
Reduced:	SO2N4H22C27 (1)
Stoich.:	AB2C4D22E27 (1)
Weight, g/mol:	393.125946
ΔH_f, kcal/mol:	25.29
Dipole, Da:	1.78
IP(EA), eV:	-8.68(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(2-ethoxyphenyl)tetrazol-5-yl]sulfanylmethyl]-5-methyl-2-phenyl-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN3C4=CC=CC=C4C(=O)C5=CC=CC=C53)C

DOS

IR

Vibrations