Geometry & MOs

Info

ID:	335630
PubChem CID:	127254492
Reduced:	BrN2O3H23C33 (1)
Stoich.:	AB2C3D23E33 (1)
Weight, g/mol:	291.180758
ΔH_f, kcal/mol:	85.15
Dipole, Da:	2.25
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-N-(3-imidazol-1-ylpropyl)-3-methyl-2-(tetrazol-1-yl)pentanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)[C@@H]2[C@@H](N3C([C@]24C5=CC=CC=C5NC4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)Br

DOS

IR

Vibrations