Geometry & MOs

Info

ID:	405765
PubChem CID:	135075338
Reduced:	BrNSO2H14C15 (1)
Stoich.:	ABCD2E14F15 (1)
Weight, g/mol:	307.124215
ΔH_f, kcal/mol:	-29.9
Dipole, Da:	6.4
IP(EA), eV:	-9.3(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)sulfonyl-3-prop-2-enylazepan-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N=S(=O)(C)C2=CC=CC=C2)Br

DOS

IR

Vibrations