Geometry & MOs

Info

ID:	154340
PubChem CID:	56313756
Reduced:	SN2O2F3C22H25 (1)
Stoich.:	AB2C2D3E22F25 (1)
Weight, g/mol:	484.266125
ΔH_f, kcal/mol:	-205.56
Dipole, Da:	2.45
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclohexylcarbamoylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)SC)C(=O)NCC(C2=CC=C(C=C2)C(F)(F)F)N3CCOCC3

DOS

IR

Vibrations