Geometry & MOs

Info

ID:	122471
PubChem CID:	50808425
Reduced:	SN3O5C21H25 (1)
Stoich.:	AB3C5D21E25 (1)
Weight, g/mol:	476.152969
ΔH_f, kcal/mol:	-165.05
Dipole, Da:	4.79
IP(EA), eV:	-8.72(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-N,6-dimethyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2C)NC(=O)CO3

DOS

IR

Vibrations