Geometry & MOs

Info

ID:	128580
PubChem CID:	51051235
Reduced:	NSF3O6H16C20 (1)
Stoich.:	ABC3D6E16F20 (1)
Weight, g/mol:	426.184084
ΔH_f, kcal/mol:	-350.93
Dipole, Da:	6.48
IP(EA), eV:	-9.48(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-6-(2,2-dimethylpropyl)-4-(4-methylphenyl)-2-propan-2-ylpyridine-3-carboxylic acid;dihydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CC2C(=O)NC(=O)S2)OC3=CC(=C(C=C3)C(=O)OC)C(F)(F)F

DOS

IR

Vibrations