Geometry & MOs

Info

ID:	269840
PubChem CID:	103619326
Reduced:	ClNSO2F3C12H13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	307.042474
ΔH_f, kcal/mol:	-221.3
Dipole, Da:	4.62
IP(EA), eV:	-8.89(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C=C2Cl)CNCCSC(F)(F)F

DOS

IR

Vibrations