Geometry & MOs

Info

ID:

192319

PubChem CID:

78256890

Reduced:

SN2O3H17C20 (1)

Stoich.:

AB2C3D17E20 (1)

Weight, g/mol:

354.169191

ΔHf, kcal/mol:

-18.72

Dipole, Da:

6.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.909341

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2,5-dimethoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC(CC(=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations