Geometry & MOs

Info

ID:	131615
PubChem CID:	51235483
Reduced:	OS2N6C17H22 (1)
Stoich.:	AB2C6D17E22 (1)
Weight, g/mol:	379.128981
ΔH_f, kcal/mol:	45.6
Dipole, Da:	6.98
IP(EA), eV:	-8.79(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

Drug info:

PubChemData

Smile

CCC1=NN2C(=O)C=C(N=C2S1)CSC3=NN=C(N3C4CCCCC4)C

DOS

IR

Vibrations