Geometry & MOs

Info

ID:	335825
PubChem CID:	127254687
Reduced:	SO2N4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	314.160357
ΔH_f, kcal/mol:	-27.64
Dipole, Da:	4.07
IP(EA), eV:	-8.18(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-2-(tetrazol-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pentanamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)NC(=N2)C)C(=O)NCCC3=CN(C4=CC=CC=C43)C

DOS

IR

Vibrations