Geometry & MOs

Info

ID:	436266
PubChem CID:	135196440
Reduced:	F2N5C8H13 (1)
Stoich.:	A2B5C8D13 (1)
Weight, g/mol:	376.166808
ΔH_f, kcal/mol:	-36.77
Dipole, Da:	7.35
IP(EA), eV:	-9.73(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-5-[[(1R)-1-carboxy-2-(2,2-dimethylpropylsulfanyl)ethyl]amino]-5-oxo-2-(propanoylamino)pentanoic acid

Drug info:

PubChemData

Smile

C1CCC2=C(C(C(C1)N)(F)F)N=NN2N

DOS

IR

Vibrations