Geometry & MOs

Info

ID:	154448
PubChem CID:	56313888
Reduced:	FSN2O4H19C22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	455.239576
ΔH_f, kcal/mol:	-99.74
Dipole, Da:	3.69
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-N-[2-[[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-oxoethyl]acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)CCNC(=O)/C=C/C2=CC(=C(C=C2)OC3=CN=CC=C3)F

DOS

IR

Vibrations