Geometry & MOs

Info

ID:	354193
PubChem CID:	127286157
Reduced:	SN3O5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	389.231456
ΔH_f, kcal/mol:	-201.53
Dipole, Da:	4.13
IP(EA), eV:	-8.31(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-morpholin-4-ylbutan-2-yl)-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)N3CCN(CC3)S(=O)(=O)CC

DOS

IR

Vibrations