Geometry & MOs

Info

ID:	149448
PubChem CID:	53789121
Reduced:	NO2S2C11H11 (1)
Stoich.:	AB2C2D11E11 (1)
Weight, g/mol:	484.180978
ΔH_f, kcal/mol:	-44.3
Dipole, Da:	6.75
IP(EA), eV:	-9.09(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(1,3-benzodioxol-5-ylmethyl)-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)pentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(SC(=S)N2)CC(=O)O

DOS

IR

Vibrations