Geometry & MOs

Info

ID:	335969
PubChem CID:	127254976
Reduced:	FSN3O3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	346.222957
ΔH_f, kcal/mol:	-85.43
Dipole, Da:	5.3
IP(EA), eV:	-8.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC(=O)C1=C(SC(=N1)NC(=O)CCCN2C=CC=C2)C3=CC(=CC=C3)F

DOS

IR

Vibrations