Geometry & MOs

Info

ID:	156703
PubChem CID:	56371814
Reduced:	OS3N5C19H21 (1)
Stoich.:	AB3C5D19E21 (1)
Weight, g/mol:	400.03439
ΔH_f, kcal/mol:	85.03
Dipole, Da:	4.74
IP(EA), eV:	-8.71(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclohex-3-en-1-ylmethyl 2-(4-bromophenyl)sulfonyl-2-methylpropanoate

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(N1C)SCC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4

DOS

IR

Vibrations