Geometry & MOs

Info

ID:	152619
PubChem CID:	56311596
Reduced:	NSBr2O3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	400.145678
ΔH_f, kcal/mol:	-67.7
Dipole, Da:	4.43
IP(EA), eV:	-8.77(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(4-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2CCN(C2)S(=O)(=O)C3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations