Geometry & MOs

Info

ID:	404346
PubChem CID:	135065918
Reduced:	SN2C27H38 (1)
Stoich.:	AB2C27D38 (1)
Weight, g/mol:	265.048126
ΔH_f, kcal/mol:	64.67
Dipole, Da:	4.09
IP(EA), eV:	-8.42(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(3-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide

Drug info:

PubChemData

Smile

CCC(=NC12CCCCC1N=C([C@@H]2SC#CC3=CC=CC=C3)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations