Geometry & MOs

Info

ID:	148243
PubChem CID:	53787905
Reduced:	SCl2N3O6C19H20 (1)
Stoich.:	AB2C3D6E19F20 (1)
Weight, g/mol:	372.26376
ΔH_f, kcal/mol:	-149.01
Dipole, Da:	1.76
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.774453
Charge, e:	0

Chem-info

IUPAC name:

N-dodecyl-2-pyridin-2-yl-2-(2H-tetrazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC(=O)OCC1=C([N+]2([C@@H]([C@@H](C2=O)C(Cl)Cl)SC1)NC(=O)C(C3=CC=CC=C3)N)C(=O)O

DOS

IR

Vibrations