Geometry & MOs

Info

ID:

171021

PubChem CID:

75312727

Reduced:

ClSF2O2N3C25H29 (1)

Stoich.:

ABC2D2E3F25G29 (1)

Weight, g/mol:

538.174272

ΔHf, kcal/mol:

-150.79

Dipole, Da:

2.14

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755660

Charge, e:

 -1

Chem-info

IUPAC name:

5-[[4-(difluoromethoxy)phenyl]methylidene]-3-[2-[di(propan-2-yl)amino]ethyl]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one;chloride

Drug info:

PubChemData

Smile

CC(C)N(CCN1C(=O)C(=CC2=CC=C(C=C2)OC(F)F)SC1=NC3=CC=CC=C3)C(C)C.[Cl-]

DOS

IR

Vibrations