Geometry & MOs

Info

ID:

166076

PubChem CID:

74635090

Reduced:

SCl2N3O4C18H24 (1)

Stoich.:

AB2C3D4E18F24 (1)

Weight, g/mol:

512.150941

ΔHf, kcal/mol:

-163.95

Dipole, Da:

7.24

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755840

Charge, e:

 -1

Chem-info

IUPAC name:

(3-fluoro-4-methoxyphenyl)-[1-(furan-2-ylmethyl)-4,5-dioxo-2-(4-phenylmethoxyphenyl)pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)C[NH+]2CCCC2C(=O)NC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations