Geometry & MOs

Info

ID:	346728
PubChem CID:	127271232
Reduced:	SO2N4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	375.215806
ΔH_f, kcal/mol:	-50.99
Dipole, Da:	3.44
IP(EA), eV:	-8.16(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[1-(2-methylpiperidin-1-yl)-1-oxopropan-2-yl]urea

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)N2CCC(C2)CNC(=O)NC3=NC4=C(S3)CCCC4

DOS

IR

Vibrations