Geometry & MOs

Info

ID:

422557

PubChem CID:

135118030

Reduced:

SO6N9C34H41 (1)

Stoich.:

AB6C9D34E41 (1)

Weight, g/mol:

252.12224

ΔHf, kcal/mol:

-136.21

Dipole, Da:

7.57

IP(EA), eV:

 -9.39(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(3-methyl-1,2-oxazol-5-yl)methanamine

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(=O)N[C@@H](C(=O)NCC2=CN(CCCOC3=C(C(=O)N[C@H](C4=NC(=CS4)C(=O)N1)CC(C)C)N=CC=C3)N=N2)CC5=CC=CC=C5)O

DOS

IR

Vibrations