Geometry & MOs

Info

ID:

298989

PubChem CID:

117665417

Reduced:

O12N33C75H131 (1)

Stoich.:

A12B33C75D131 (1)

Weight, g/mol:

383.16452

ΔHf, kcal/mol:

-497.49

Dipole, Da:

8.32

IP(EA), eV:

 -8.62(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(3-fluoro-4-hydroxyphenyl)-N'-hydroxy-5-propylbenzenecarboximidamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)NCCCCCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N

DOS

IR

Vibrations