Geometry & MOs

Info

ID:	46460
PubChem CID:	10524504
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	391.011905
ΔH_f, kcal/mol:	26.67
Dipole, Da:	1.02
IP(EA), eV:	-8.18(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[2-[(2-methylsulfanyl-1,3-thiazol-4-yl)methyl]-1,3-benzoxazol-5-yl]methyl]-1,3-thiazolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=N)C(N(S2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4

DOS

IR

Vibrations