Geometry & MOs

Info

ID:

87273

PubChem CID:

49893513

Reduced:

SN3O5H23C27 (1)

Stoich.:

AB3C5D23E27 (1)

Weight, g/mol:

618.01217

ΔHf, kcal/mol:

-115.32

Dipole, Da:

1.53

IP(EA), eV:

 -8.8(-1.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations