Geometry & MOs

Info

ID:	336319
PubChem CID:	127255326
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	304.176007
ΔH_f, kcal/mol:	55.15
Dipole, Da:	3.13
IP(EA), eV:	-8.71(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C=C1)CCCCCC(=O)NC2=NNC(=N2)C3=CC=CS3

DOS

IR

Vibrations