Geometry & MOs

Info

ID:

45105

PubChem CID:

10508059

Reduced:

N4O15C23H44 (1)

Stoich.:

A4B15C23D44 (1)

Weight, g/mol:

502.167477

ΔHf, kcal/mol:

-674.06

Dipole, Da:

5.66

IP(EA), eV:

 -9.6(0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[3-(3-carbamimidoylphenyl)-5-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]-4H-1,2-oxazol-5-yl]acetate

Drug info:

PubChemData

Smile

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)N

DOS

IR

Vibrations