Geometry & MOs

Info

ID:	129224
PubChem CID:	51071985
Reduced:	N2S2H10C13 (1)
Stoich.:	A2B2C10D13 (1)
Weight, g/mol:	419.177583
ΔH_f, kcal/mol:	92.2
Dipole, Da:	4.3
IP(EA), eV:	-8.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CN2C(=CSC2=N1)C3=CSC4=CC=CC=C43

DOS

IR

Vibrations