Geometry & MOs

Info

ID:	203244
PubChem CID:	79798565
Reduced:	SF3N3O3C10H12 (1)
Stoich.:	AB3C3D3E10F12 (1)
Weight, g/mol:	298.150427
ΔH_f, kcal/mol:	-252.05
Dipole, Da:	9.22
IP(EA), eV:	-10.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-amino-2-methylheptanoyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)(C(F)(F)F)NC(=O)C1=CSC(=N1)CCN

DOS

IR

Vibrations