Geometry & MOs

Info

ID:	84119
PubChem CID:	49864307
Reduced:	ClS2N4O6C23H27 (1)
Stoich.:	AB2C4D6E23F27 (1)
Weight, g/mol:	390.12628
ΔH_f, kcal/mol:	-217.74
Dipole, Da:	10.93
IP(EA), eV:	-8.64(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(2-ethyltetrazol-5-yl)-4-phenyl-1,3-thiazol-2-yl]-2-phenylacetamide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)N4CCCCS4(=O)=O

DOS

IR

Vibrations