Geometry & MOs

Info

ID:	139893
PubChem CID:	52613264
Reduced:	ClON5H22C23 (1)
Stoich.:	ABC5D22E23 (1)
Weight, g/mol:	465.155864
ΔH_f, kcal/mol:	65.75
Dipole, Da:	5.47
IP(EA), eV:	-8.75(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-5-(trifluoromethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=NN(C=C1CCCNC(=O)C2=C(NN=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4

DOS

IR

Vibrations