Geometry & MOs

Info

ID:	11479
PubChem CID:	116052
Reduced:	N2O3S4H16C17 (1)
Stoich.:	A2B3C4D16E17 (1)
Weight, g/mol:	424.004377
ΔH_f, kcal/mol:	-43.54
Dipole, Da:	4.8
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-bis(1,3-benzoxathiol-2-ylsulfanylmethyl)urea

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)OC(S2)SCNC(=O)NCSC3OC4=CC=CC=C4S3

DOS

IR

Vibrations