Geometry & MOs

Info

ID:	244765
PubChem CID:	99381440
Reduced:	ClSO2N3C18H20 (1)
Stoich.:	ABC2D3E18F20 (1)
Weight, g/mol:	356.196074
ΔH_f, kcal/mol:	-57.54
Dipole, Da:	5.98
IP(EA), eV:	-9.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)N3CCCC[C@H]3CC(=O)N

DOS

IR

Vibrations