Geometry & MOs

Info

ID:	244985
PubChem CID:	99431930
Reduced:	SN3O6C18H23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	476.151826
ΔH_f, kcal/mol:	-228.08
Dipole, Da:	5.75
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[1-[3-(2-methylsulfanylimidazol-1-yl)benzoyl]piperidine-4-carbonyl]-4H-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCC(CC1)C(=O)C2=CC3=C(C=C2)OCC(=O)N3)NS(=O)(=O)C

DOS

IR

Vibrations