Geometry & MOs

Info

ID:	282088
PubChem CID:	103915564
Reduced:	ClNO2F3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	326.102431
ΔH_f, kcal/mol:	-247.48
Dipole, Da:	1.7
IP(EA), eV:	-9.86(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)C(=O)N(CCO)CC(F)(F)F

DOS

IR

Vibrations