Geometry & MOs

Info

ID:	121356
PubChem CID:	50764680
Reduced:	FSN3O5C22H24 (1)
Stoich.:	ABC3D5E22F24 (1)
Weight, g/mol:	471.182792
ΔH_f, kcal/mol:	-215.59
Dipole, Da:	3.0
IP(EA), eV:	-9.11(-1.08)
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-(3,4-dimethylphenyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1C(=O)NC2=C(O1)C=C(C(=C2)C)S(=O)(=O)N3CCCC(C3)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations