Geometry & MOs

Info

ID:

421636

PubChem CID:

135116331

Reduced:

SO6N10C38H50 (1)

Stoich.:

AB6C10D38E50 (1)

Weight, g/mol:

407.185649

ΔHf, kcal/mol:

-170.9

Dipole, Da:

11.55

IP(EA), eV:

 -8.25(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[3-(azepan-1-yl)-2-hydroxypropyl]amino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)CCN5C(=CC=N5)C)C

DOS

IR

Vibrations