Geometry & MOs

Info

ID:	181651
PubChem CID:	76770153
Reduced:	BrN2O4C23H33 (1)
Stoich.:	AB2C4D23E33 (1)
Weight, g/mol:	354.115047
ΔH_f, kcal/mol:	-173.08
Dipole, Da:	4.19
IP(EA), eV:	-8.92(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-amino-4-methyl-1,3-thiazin-4-yl)phenyl]-1-(5-methoxypyrazin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1C(=O)N(C2=C(O1)C=C(C(=C2)C(=O)N(C3CCCCC3)C(C)C)Br)CCCOC

DOS

IR

Vibrations