Geometry & MOs

Info

ID:	345320
PubChem CID:	127269596
Reduced:	SN4O4C18H24 (1)
Stoich.:	AB4C4D18E24 (1)
Weight, g/mol:	360.114378
ΔH_f, kcal/mol:	-138.05
Dipole, Da:	5.97
IP(EA), eV:	-8.34(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)N3CCC(CC3)N4CCNC4=O)OCCO2

DOS

IR

Vibrations