Geometry & MOs

Info

ID:	146603
PubChem CID:	53715609
Reduced:	ON3H7C9 (1)
Stoich.:	AB3C7D9 (1)
Weight, g/mol:	375.05038
ΔH_f, kcal/mol:	55.86
Dipole, Da:	7.77
IP(EA), eV:	-8.98(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(bromomethyl)-N-[(4S)-2-methyl-5-oxoheptan-4-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1NN=C2C#N

DOS

IR

Vibrations