Geometry & MOs

Info

ID:	163532
PubChem CID:	58033265
Reduced:	BrON2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	591.192688
ΔH_f, kcal/mol:	21.2
Dipole, Da:	5.42
IP(EA), eV:	-9.1(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(hydroxymethyl)-6-methoxy-3-[2-[2-(4-methoxy-3-phenylmethoxyphenyl)ethylamino]-2-oxoethyl]phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC2=C(N=C(N2C=C1)Br)C=O

DOS

IR

Vibrations