Geometry & MOs

Info

ID:	448413
PubChem CID:	135290715
Reduced:	ION3C17H22 (1)
Stoich.:	ABC3D17E22 (1)
Weight, g/mol:	554.10376
ΔH_f, kcal/mol:	72.88
Dipole, Da:	13.36
IP(EA), eV:	-7.52(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S)-4-[2-[(2S)-4-fluoro-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]hydrazinyl]-3-hydroxy-4-(4-iodophenyl)butan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

C[N+]1(C2CCC1CN(C2)C3=NC=C(C=C3)C#C)C4COC4.[I-]

DOS

IR

Vibrations