Geometry & MOs

Info

ID:

40098

PubChem CID:

8143558

Reduced:

ClOSN4C18H24 (1)

Stoich.:

ABCD4E18F24 (1)

Weight, g/mol:

321.114713

ΔHf, kcal/mol:

41.26

Dipole, Da:

3.73

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.807194

Charge, e:

 0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-3-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

C1CC[NH+](C1)CN2C(=S)N(C(=N2)C3=CC=C(C=C3)Cl)C[C@H]4CCCO4

DOS

IR

Vibrations