Geometry & MOs

Info

ID:	162536
PubChem CID:	57394973
Reduced:	FSN3O6C26H32 (1)
Stoich.:	ABC3D6E26F32 (1)
Weight, g/mol:	338.123972
ΔH_f, kcal/mol:	-214.21
Dipole, Da:	6.05
IP(EA), eV:	-8.74(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-8-[(2R)-1-(triazol-2-yl)propan-2-yl]pyrimido[4,5-g][1,2,3]benzotriazine-4,9-dione

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N[C@@H](CCCCOC2=CC=C(C[C@@H](C(=O)N1)NS(=O)(=O)C3=CC=C(C=C3)F)C=C2)C=O

DOS

IR

Vibrations