Geometry & MOs

Info

ID:	161474
PubChem CID:	57391766
Reduced:	F3O3N5C24H28 (1)
Stoich.:	A3B3C5D24E28 (1)
Weight, g/mol:	534.24539
ΔH_f, kcal/mol:	-239.05
Dipole, Da:	6.11
IP(EA), eV:	-8.86(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(3R)-1-[4-(6-ethoxypyridin-3-yl)-4-hydroxycyclohexyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)C3CCC(CC3)(C4=NC=CN=C4)O

DOS

IR

Vibrations