Geometry & MOs

Info

ID:

47067

PubChem CID:

10529316

Reduced:

SN3O6C25H27 (1)

Stoich.:

AB3C6D25E27 (1)

Weight, g/mol:

497.19442

ΔHf, kcal/mol:

-199.81

Dipole, Da:

8.73

IP(EA), eV:

 -9.48(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-[[5-[4-(carbamoylamino)butyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C(=C(N1CC2=CC=CC=C2)C)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)C)C(=O)O)C

DOS

IR

Vibrations