Geometry & MOs

Info

ID:	274415
PubChem CID:	103809157
Reduced:	OSF3N5C11H16 (1)
Stoich.:	ABC3D5E11F16 (1)
Weight, g/mol:	306.101369
ΔH_f, kcal/mol:	-157.67
Dipole, Da:	5.5
IP(EA), eV:	-9.69(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-phenyl-N-[2-(trifluoromethylsulfanyl)ethyl]butanamide

Drug info:

PubChemData

Smile

C1CNCCC1N2C=C(N=N2)C(=O)NCCSC(F)(F)F

DOS

IR

Vibrations