Geometry & MOs

Info

ID:

328068

PubChem CID:

126691939

Reduced:

N5O5F6H29C36 (1)

Stoich.:

A5B5C6D29E36 (1)

Weight, g/mol:

347.085911

ΔHf, kcal/mol:

-393.71

Dipole, Da:

7.53

IP(EA), eV:

 -9.36(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-chloro-1,3-thiazol-2-yl)-3-methyl-6-methylidene-1-[methyl(prop-1-en-2-yl)amino]-5,7-dihydropyrrolizine-2-carbaldehyde

Drug info:

PubChemData

Smile

C[C@H]1C(OC(=O)N1CC2=NC(=NC=C2C3=C(C=CC(=C3)C4=C(C=C(C=C4)C(=O)O)C)OC)N5C=C(N=C5)C)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations