Geometry & MOs

Info

ID:	187498
PubChem CID:	77581144
Reduced:	ClN2O6C25H31 (1)
Stoich.:	AB2C6D25E31 (1)
Weight, g/mol:	481.117126
ΔH_f, kcal/mol:	-234.2
Dipole, Da:	4.59
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-2-[3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]urea

Drug info:

PubChemData

Smile

COCCNC(=O)C1=C(C=C(C=C1)O)OCC(CN2CCC3(CC2)C4=C(CO3)C=C(C=C4)Cl)O

DOS

IR

Vibrations