Geometry & MOs

Info

ID:	448635
PubChem CID:	135292392
Reduced:	NO5C28H33 (1)
Stoich.:	AB5C28D33 (1)
Weight, g/mol:	319.02416
ΔH_f, kcal/mol:	-153.07
Dipole, Da:	7.09
IP(EA), eV:	-8.17(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-bromo-1-methyl-6-(2-methylpropylsulfanyl)-2H-pyridine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C=C(C3=C(C2=CCC1)C(=O)C(=O)C4=C3OC(=C4C)CN(C)CCOC(=O)C(C)(C)C)C

DOS

IR

Vibrations