Geometry & MOs

Info

ID:

443288

PubChem CID:

135258418

Reduced:

ClN3O3C9H12 (1)

Stoich.:

AB3C3D9E12 (1)

Weight, g/mol:

630.120353

ΔHf, kcal/mol:

-32.76

Dipole, Da:

6.9

IP(EA), eV:

-8.46(-1.69)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

methyl (Z)-2-amino-4-[5-[2-chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]-4,5-dihydro-1,2-oxazol-3-yl]-4-propan-2-yliminobut-2-enoate

Drug info:

PubChemData

Smile

CC(C)N1/C(=C(\N=O)/Cl)/C=C(N1)C(=O)OC

DOS

IR

Vibrations