Geometry & MOs

Info

ID:

88100

PubChem CID:

49901167

Reduced:

SN3O5H25C33 (1)

Stoich.:

AB3C5D25E33 (1)

Weight, g/mol:

640.210404

ΔHf, kcal/mol:

-84.54

Dipole, Da:

5.92

IP(EA), eV:

 -8.91(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-5-[[4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)oxy]-3-methoxyphenyl]methylidene]-3-(naphthalen-1-ylmethyl)-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=C(C3=CC=CC=C32)/C=C\4/C(=O)N(C(=O)S4)CC5=CC6=CC=CC=C6C=C5

DOS

IR

Vibrations