Geometry & MOs

Info

ID:	156360
PubChem CID:	56370269
Reduced:	S2O3N5C18H27 (1)
Stoich.:	A2B3C5D18E27 (1)
Weight, g/mol:	415.08168
ΔH_f, kcal/mol:	-79.93
Dipole, Da:	1.06
IP(EA), eV:	-9.15(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenyl)sulfonyl-N-cyclooctyl-2-methylpropanamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C)C(C)C

DOS

IR

Vibrations