Geometry & MOs

Info

ID:	335712
PubChem CID:	127254574
Reduced:	ClSO3N5H20C24 (1)
Stoich.:	ABC3D5E20F24 (1)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-27.24
Dipole, Da:	8.28
IP(EA), eV:	-8.49(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-methyl-2-(tetrazol-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

C1CN(CC(=O)N1)C(=O)C2=CC=C(C=C2)N3CC(=O)C(=C3N)C4=NC(=CS4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations