Geometry & MOs

Info

ID:	282486
PubChem CID:	103928720
Reduced:	OSN2F3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	291.194677
ΔH_f, kcal/mol:	-208.72
Dipole, Da:	1.5
IP(EA), eV:	-9.33(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NC1=CC=CC=C1SCC(F)(F)F)N

DOS

IR

Vibrations