Geometry & MOs

Info

ID:	436806
PubChem CID:	135211749
Reduced:	SO2N7C32H45 (1)
Stoich.:	AB2C7D32E45 (1)
Weight, g/mol:	222.91997
ΔH_f, kcal/mol:	-11.35
Dipole, Da:	4.92
IP(EA), eV:	-7.86(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-4-fluoro-3-methylpyridine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N2CCC(CC2)N(C)C)OC(C)C)NC3=NC4=C(CCN4)C(=N3)NC5=CC=CC=C5S(=O)C(C)C

DOS

IR

Vibrations