Geometry & MOs

Info

ID:	151653
PubChem CID:	56260997
Reduced:	BrS2N4O5C14H15 (1)
Stoich.:	AB2C4D5E14F15 (1)
Weight, g/mol:	444.111934
ΔH_f, kcal/mol:	-148.33
Dipole, Da:	3.46
IP(EA), eV:	-9.14(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-prop-2-ynoxyphenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C(=O)NC2=CC(=C(C=C2)N(S(=O)(=O)C)S(=O)(=O)C)Br

DOS

IR

Vibrations