Geometry & MOs

Info

ID:	139618
PubChem CID:	52571797
Reduced:	BrFSN2O2C13H14 (1)
Stoich.:	ABCD2E2F13G14 (1)
Weight, g/mol:	379.046602
ΔH_f, kcal/mol:	-98.08
Dipole, Da:	3.61
IP(EA), eV:	-9.02(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CN(CC1=C(C=CC(=C1)Br)F)C(=O)CN2CSCC2=O

DOS

IR

Vibrations