Geometry & MOs

Info

ID:	188396
PubChem CID:	77710420
Reduced:	SO2N3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	351.215806
ΔH_f, kcal/mol:	-16.83
Dipole, Da:	4.99
IP(EA), eV:	-8.88(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-hydroxy-8,8-dimethyl-1-oxo-1-(pyridin-3-ylmethylamino)nonan-3-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1C2C(C3=C(CN2C(=O)COC4=CC5=C(CCC5)C=C4)SC=C3)NN1

DOS

IR

Vibrations