Geometry & MOs

Info

ID:	336208
PubChem CID:	127255215
Reduced:	BrNO4H24C34 (1)
Stoich.:	ABC4D24E34 (1)
Weight, g/mol:	294.099587
ΔH_f, kcal/mol:	-1.74
Dipole, Da:	4.72
IP(EA), eV:	-8.49(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(6-chloropyridin-3-yl)-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)[C@H]2[C@@H](C3(C4N2C5=CC=CC=C5C=C4)C(=O)C6=CC=CC=C6C3=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations