Geometry & MOs

Info

ID:	158490
PubChem CID:	56464014
Reduced:	BrSN3O3C17H24 (1)
Stoich.:	ABC3D3E17F24 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	-64.01
Dipole, Da:	4.54
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C=CC(=C1)S(=O)(=O)NC2CC2)Br)N(C)C3CC3

DOS

IR

Vibrations