Geometry & MOs

Info

ID:	345326
PubChem CID:	127269602
Reduced:	SN2O4C18H26 (1)
Stoich.:	AB2C4D18E26 (1)
Weight, g/mol:	393.172228
ΔH_f, kcal/mol:	-162.54
Dipole, Da:	3.83
IP(EA), eV:	-8.36(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(azepan-1-yl)-3-oxopropyl]-3-(6-methylsulfanyl-2,3-dihydro-1,4-benzodioxin-7-yl)urea

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1NC(=O)NCCOC3CCCCC3)OCCO2

DOS

IR

Vibrations