Geometry & MOs

Info

ID:	34141
PubChem CID:	7890035
Reduced:	FSN2O3H19C21 (1)
Stoich.:	ABC2D3E19F21 (1)
Weight, g/mol:	358.150427
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	2.38
IP(EA), eV:	-8.64(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]-2-[4-(trifluoromethyl)phenoxy]acetamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)[C@@H](C)OC(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations