Geometry & MOs

Info

ID:	46709
PubChem CID:	10526494
Reduced:	BrN2O2C22H23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	427.064507
ΔH_f, kcal/mol:	-16.01
Dipole, Da:	2.22
IP(EA), eV:	-9.16(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N2C[C@@H]3[C@@H]4N([C@H](CO4)C5=CC=CC=C5)C(=O)[C@@]3(C2)Br

DOS

IR

Vibrations