Geometry & MOs

Info

ID:	431367
PubChem CID:	135171442
Reduced:	OSBr2N4H10C11 (1)
Stoich.:	ABC2D4E10F11 (1)
Weight, g/mol:	560.10592
ΔH_f, kcal/mol:	35.09
Dipole, Da:	6.37
IP(EA), eV:	-8.93(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-methoxy-3-[3-[(4-methoxypyridine-2-carbonyl)amino]-2-methylphenyl]phenyl]-4-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1[C@H]2CN([C@@H]1CO2)C3=NC(=CS3)N4C=C(N=C4Br)Br

DOS

IR

Vibrations