Geometry & MOs

Info

ID:	130031
PubChem CID:	51074676
Reduced:	SN2O5C14H22 (1)
Stoich.:	AB2C5D14E22 (1)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-188.12
Dipole, Da:	4.24
IP(EA), eV:	-9.38(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2-oxoazepan-1-yl)propyl]urea

Drug info:

PubChemData

Smile

CN(C1CCS(=O)(=O)C1)C(=O)NCCCOCC2=CC=CO2

DOS

IR

Vibrations