Geometry & MOs

Info

ID:	335546
PubChem CID:	127254408
Reduced:	N2O2F3C22H27 (1)
Stoich.:	A2B2C3D22E27 (1)
Weight, g/mol:	428.12015
ΔH_f, kcal/mol:	-229.42
Dipole, Da:	3.3
IP(EA), eV:	-8.78(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-2-(tetrazol-1-yl)thiophene-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1(C2=CC(=CC=C2)C(F)(F)F)O)C(=O)CCCCCN3C=CC=C3

DOS

IR

Vibrations