Geometry & MOs

Info

ID:

193450

PubChem CID:

78396194

Reduced:

SCl2N2O4H13C18 (1)

Stoich.:

AB2C2D4E13F18 (1)

Weight, g/mol:

379.049047

ΔHf, kcal/mol:

-39.27

Dipole, Da:

20.3

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.864761

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methoxyphenyl)-5-(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)[O-])NC(=S)NC(=O)C=CC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations