Geometry & MOs

Info

ID:	64712
PubChem CID:	29203893
Reduced:	SN2O6C20H32 (1)
Stoich.:	AB2C6D20E32 (1)
Weight, g/mol:	491.18902
ΔH_f, kcal/mol:	-251.77
Dipole, Da:	11.73
IP(EA), eV:	-9.25(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide

Drug info:

PubChemData

Smile

CC(C)OCCCNC(=O)CCCCCNS(=O)(=O)C1=CC2=C(C=C1)OCCO2

DOS

IR

Vibrations