Geometry & MOs

Info

ID:	185227
PubChem CID:	77272324
Reduced:	FO2N5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	537.250872
ΔH_f, kcal/mol:	21.63
Dipole, Da:	6.43
IP(EA), eV:	-9.64(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-methoxybutyl)-2,2,7-trimethyl-1,1,3-trioxo-1lambda6,4-benzothiazine-6-carbonyl]-propan-2-ylamino]piperidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(CC)(CCC(=O)N)C1=NC2=C(N1)C3C=CC(=CC3=C4C2=NC=NC4=O)F

DOS

IR

Vibrations