Geometry & MOs

Info

ID:

87112

PubChem CID:

49892206

Reduced:

FSBr2N2O4H19C26 (1)

Stoich.:

ABC2D2E4F19G26 (1)

Weight, g/mol:

680.0045

ΔHf, kcal/mol:

-121.65

Dipole, Da:

1.03

IP(EA), eV:

 -8.77(-1.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[2-ethoxy-4-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]-6-iodophenoxy]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2Br)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4F)Br

DOS

IR

Vibrations