Geometry & MOs

Info

ID:	218635
PubChem CID:	85089730
Reduced:	FN3O4C9H13 (2)
Stoich.:	AB3C4D9E13 (2)
Weight, g/mol:	488.105134
ΔH_f, kcal/mol:	-443.51
Dipole, Da:	6.58
IP(EA), eV:	-10.23(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-1-[4-methylsulfonyl-3-(trifluoromethoxy)phenyl]-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC(CC(=O)NCCNC(=O)CC(N1CC(C(=O)NC1=O)F)OC)N2CC(C(=O)NC2=O)F

DOS

IR

Vibrations