Geometry & MOs

Info

ID:	157645
PubChem CID:	56436259
Reduced:	O2N3C25H37 (1)
Stoich.:	A2B3C25D37 (1)
Weight, g/mol:	463.15772
ΔH_f, kcal/mol:	-100.59
Dipole, Da:	3.47
IP(EA), eV:	-8.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-fluoro-5-(methylsulfamoyl)benzoyl]-N-pentan-3-yl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)C2CC3CCCCC3N2C(=O)C4=CC=CC=C4

DOS

IR

Vibrations