Geometry & MOs

Info

ID:

327945

PubChem CID:

126691470

Reduced:

N3S3O11C37H45 (1)

Stoich.:

A3B3C11D37E45 (1)

Weight, g/mol:

390.073967

ΔHf, kcal/mol:

-345.92

Dipole, Da:

11.01

IP(EA), eV:

 -8.2(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(4-chloro-1,3-thiazol-2-yl)-2-ethenyl-N,N-dimethyl-3-(4-methyl-1,3-thiazol-2-yl)-6,7-dihydro-5H-pyrrolizin-1-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)O)C3=C4C=C5CCCN(C5=CC4OC6=C3C=C7CCCN(C7=C6)CCCS(=O)(=O)O)CCCS(=O)(=O)O

DOS

IR

Vibrations