Geometry & MOs

Info

ID:	50504
PubChem CID:	12013046
Reduced:	SN2O3C16H22 (1)
Stoich.:	AB2C3D16E22 (1)
Weight, g/mol:	575.06835
ΔH_f, kcal/mol:	-74.64
Dipole, Da:	8.44
IP(EA), eV:	-8.04(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(benzenesulfonyl)-1-methylpyrrol-2-yl]methyl-bromo-triphenyl-lambda5-phosphane

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(O1)/C=C/C2=CC=C(N2C)S(=O)(=O)C

DOS

IR

Vibrations