Geometry & MOs

Info

ID:	87543
PubChem CID:	49895271
Reduced:	BrNSO4H16C19 (1)
Stoich.:	ABCD4E16F19 (1)
Weight, g/mol:	574.199839
ΔH_f, kcal/mol:	-104.22
Dipole, Da:	3.73
IP(EA), eV:	-9.12(-1.21)
Spin(S_z, 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]phenyl]methylidene]-3-[(2-methylphenyl)methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN2C(=O)/C(=C/C3=CC(=C(C=C3Br)O)OC)/SC2=O

DOS

IR

Vibrations