Geometry & MOs

Info

ID:	175378
PubChem CID:	75892117
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	419.278407
ΔH_f, kcal/mol:	-59.66
Dipole, Da:	4.21
IP(EA), eV:	-8.75(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-3-(3-ethyl-2-morpholin-4-ylpentyl)urea

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)CC3=CC=C(C=C3)NC(=O)CC4CS(=O)(=O)C=C4

DOS

IR

Vibrations