Geometry & MOs

Info

ID:

324914

PubChem CID:

126678610

Reduced:

FO6N7C32H50 (1)

Stoich.:

AB6C7D32E50 (1)

Weight, g/mol:

364.130422

ΔHf, kcal/mol:

-315.47

Dipole, Da:

4.07

IP(EA), eV:

 -9.11(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E)-1-[[(2R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]amino]-1-oxo-7-sulfanylhept-4-en-3-yl] 2-amino-3-hydroxypropanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CF)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations