Geometry & MOs

Info

ID:	46528
PubChem CID:	10525021
Reduced:	NOPSC8H11 (2)
Stoich.:	ABCDE8F11 (2)
Weight, g/mol:	400.055149
ΔH_f, kcal/mol:	-144.3
Dipole, Da:	1.18
IP(EA), eV:	-9.08(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)P(=S)(CNCCNCP(=S)(C2=CC=CC=C2)O)O

DOS

IR

Vibrations