Geometry & MOs

Info

ID:	181652
PubChem CID:	76770309
Reduced:	SO2N4C18H18 (1)
Stoich.:	AB2C4D18E18 (1)
Weight, g/mol:	406.126361
ΔH_f, kcal/mol:	22.94
Dipole, Da:	4.43
IP(EA), eV:	-8.84(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(2-amino-4-methyl-1,3-thiazin-4-yl)-4-fluorophenyl]-1-(5-cyclopenta-1,3-dien-1-ylpyrazin-2-yl)ethanone

Drug info:

PubChemData

Smile

CC1(C=CSC(=N1)N)C2=CC=CC(=C2)CC(=O)C3=CN=C(C=N3)OC

DOS

IR

Vibrations