Geometry & MOs

Info

ID:

171644

PubChem CID:

75409698

Reduced:

NSCl2O4H19C25 (1)

Stoich.:

ABC2D4E19F25 (1)

Weight, g/mol:

479.132648

ΔHf, kcal/mol:

-70.93

Dipole, Da:

2.45

IP(EA), eV:

 -8.4(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2E)-2-[(5Z)-5-[[2-(difluoromethoxy)phenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-morpholin-4-yl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C(/CC(=O)O)\C2=NC3=CC=CC=C3S2)OCC4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations