Geometry & MOs

Info

ID:	133535
PubChem CID:	51543420
Reduced:	SO3N4C22H22 (1)
Stoich.:	AB3C4D22E22 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	17.07
Dipole, Da:	6.62
IP(EA), eV:	-8.69(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-3-phenylmethoxypropan-2-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SC[C@@H](COC3=CC=CC4=CC=CC=C43)O

DOS

IR

Vibrations