Geometry & MOs

Info

ID:	352068
PubChem CID:	127283136
Reduced:	SO2N3C18H33 (1)
Stoich.:	AB2C3D18E33 (1)
Weight, g/mol:	297.205242
ΔH_f, kcal/mol:	-128.2
Dipole, Da:	2.13
IP(EA), eV:	-8.47(0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-[(4-hydroxyoxan-4-yl)methyl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)(CNC(=O)NCC2(CCCC2)N3CCSCC3)O

DOS

IR

Vibrations