Geometry & MOs

Info

ID:	433026
PubChem CID:	135173163
Reduced:	FSN8H15C21 (1)
Stoich.:	ABC8D15E21 (1)
Weight, g/mol:	531.219178
ΔH_f, kcal/mol:	194.53
Dipole, Da:	5.91
IP(EA), eV:	-8.69(-2.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,4-dimethyl-N-[6-[2-methyl-3-[4-(3-oxobutan-2-yl)phenyl]propyl]pyridin-2-yl]-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide

Drug info:

PubChemData

Smile

CN/C(=C(\C1=C(N=NC1=C)C2=NC3=C(N2)C=NC=C3C4=CSC=C4)/F)/C5=CN=CN=C5

DOS

IR

Vibrations