Geometry & MOs

Info

ID:	336277
PubChem CID:	127255284
Reduced:	NCl2O3H23C34 (1)
Stoich.:	AB2C3D23E34 (1)
Weight, g/mol:	288.169859
ΔH_f, kcal/mol:	63.89
Dipole, Da:	7.31
IP(EA), eV:	-8.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=CC3N2[C@H]([C@@H](C34C(=O)C5=CC=CC=C5C4=O)C6=C(C=C(C=C6)Cl)Cl)C(=O)C7=CC=CC=C7)C=C1

DOS

IR

Vibrations