Geometry & MOs

Info

ID:	447441
PubChem CID:	135282886
Reduced:	ClNO2C14H15 (2)
Stoich.:	ABC2D14E15 (2)
Weight, g/mol:	408.0546
ΔH_f, kcal/mol:	-145.1
Dipole, Da:	2.86
IP(EA), eV:	-9.54(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethylpentan-2-yl-(6-iodo-4-methoxypyridin-3-yl)oxycarbamic acid

Drug info:

PubChemData

Smile

CC(C)(CCO[C@@]1(C2=C(C=C(C=C2)C(C)(C)O)C(=O)N1CC3=NC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations