Geometry & MOs

Info

ID:	144466
PubChem CID:	53372837
Reduced:	ClFN6H16C20 (1)
Stoich.:	ABC6D16E20 (1)
Weight, g/mol:	510.204925
ΔH_f, kcal/mol:	85.6
Dipole, Da:	5.3
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-4-[4-[3-(dimethylsulfamoylamino)phenyl]phenyl]-5-oxo-1H-1,2,4-triazole

Drug info:

PubChemData

Smile

CN(C)C1=NC=CC(=N1)NC2=CC(=NC3=C2C=CC=N3)C4=C(C=CC(=C4)Cl)F

DOS

IR

Vibrations