Geometry & MOs

Info

ID:	77988
PubChem CID:	49681403
Reduced:	S2O3N4H20C22 (1)
Stoich.:	A2B3C4D20E22 (1)
Weight, g/mol:	327.01399
ΔH_f, kcal/mol:	-1.98
Dipole, Da:	7.28
IP(EA), eV:	-9.3(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)methanesulfonamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=C4C=CSC4=NC=N3

DOS

IR

Vibrations