Geometry & MOs

Info

ID:

47416

PubChem CID:

10532484

Reduced:

FS4O8N9H19C21 (1)

Stoich.:

AB4C8D9E19F21 (1)

Weight, g/mol:

671.28428

ΔHf, kcal/mol:

-113.88

Dipole, Da:

4.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 2.029561

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2R,3R,4S)-3-acetamido-6-benzhydryloxycarbonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3,4-dihydro-2H-pyran-2-carbonyl]-(2-phenylethyl)amino]acetic acid

Drug info:

PubChemData

Smile

C[N+]1=C2C=CC(=NN2C=C1)S/C=C/C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=N\OCF)/C5=NSC(=N5)NS(=O)(=O)O)SC3)C(=O)O

DOS

IR

Vibrations