Geometry & MOs

Info

ID:	158778
PubChem CID:	56468399
Reduced:	SN3O3C20H33 (1)
Stoich.:	AB3C3D20E33 (1)
Weight, g/mol:	408.171002
ΔH_f, kcal/mol:	-150.9
Dipole, Da:	3.78
IP(EA), eV:	-9.31(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCCCC1CCCC1NC(=O)C2=CC(=CN2C)S(=O)(=O)N3CCCCC3

DOS

IR

Vibrations