Geometry & MOs

Info

ID:	335690
PubChem CID:	127254552
Reduced:	SO2N6C21H22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	48.28
Dipole, Da:	9.39
IP(EA), eV:	-9.12(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-methyl-N-(2-pyridin-4-ylethyl)-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)COC3=CC=CC=C3N4C=NN=C4

DOS

IR

Vibrations