Geometry & MOs

Info

ID:	158772
PubChem CID:	56468369
Reduced:	FCl2O2N5H16C18 (1)
Stoich.:	AB2C2D5E16F18 (1)
Weight, g/mol:	450.094409
ΔH_f, kcal/mol:	-28.85
Dipole, Da:	4.32
IP(EA), eV:	-9.04(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)F

DOS

IR

Vibrations