Geometry & MOs

Info

ID:	139187
PubChem CID:	52487829
Reduced:	SF2N2O2C18H20 (1)
Stoich.:	AB2C2D2E18F20 (1)
Weight, g/mol:	386.141262
ΔH_f, kcal/mol:	-149.53
Dipole, Da:	3.29
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-ethoxyphenoxy)-3-[1-(4-methylphenyl)tetrazol-5-yl]sulfanylpropan-2-ol

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=CS1)NC(=O)CCNC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations