Geometry & MOs

Info

ID:	133590
PubChem CID:	51559440
Reduced:	FN2O3C28H31 (1)
Stoich.:	AB2C3D28E31 (1)
Weight, g/mol:	383.098287
ΔH_f, kcal/mol:	-145.5
Dipole, Da:	10.1
IP(EA), eV:	-8.36(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-chloro-2-fluorophenyl)-2-(1-cyclohexyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1[C@H]2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)NC4=CC=C(C=C4)F)C

DOS

IR

Vibrations