Geometry & MOs

Info

ID:	121352
PubChem CID:	50764652
Reduced:	FSN4O4H15C21 (1)
Stoich.:	ABC4D4E15F21 (1)
Weight, g/mol:	471.182792
ΔH_f, kcal/mol:	-58.02
Dipole, Da:	7.11
IP(EA), eV:	-9.58(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,6-dimethyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]-N-(3,5-dimethylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations