Geometry & MOs

Info

ID:	392396
PubChem CID:	135015349
Reduced:	OF3N6C16H17 (1)
Stoich.:	AB3C6D16E17 (1)
Weight, g/mol:	316.199822
ΔH_f, kcal/mol:	-135.74
Dipole, Da:	3.05
IP(EA), eV:	-9.16(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[(2S,4R)-5-methoxy-4-methyl-5-oxopentan-2-yl]carbamoylamino]-2-methylpentanoate

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC=C(C(=N2)NC3=CC=CC(=C3)C(F)(F)F)C(=O)N

DOS

IR

Vibrations