Geometry & MOs

Info

ID:

422953

PubChem CID:

135118673

Reduced:

SO5N10C37H50 (1)

Stoich.:

AB5C10D37E50 (1)

Weight, g/mol:

336.087685

ΔHf, kcal/mol:

-99.51

Dipole, Da:

8.25

IP(EA), eV:

 -8.52(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-(4-chlorophenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN1C=CC(=N1)CN2CCN(C(=O)[C@@H](NC(=O)CN(C(=O)[C@H](NC(=O)C3=CSC(=N3)[C@@H](NC(=O)C2)CC(C)C)CC4=CNC5=CC=CC=C54)C)C)C

DOS

IR

Vibrations