Geometry & MOs

Info

ID:	192402
PubChem CID:	78264996
Reduced:	N3O3H21C23 (1)
Stoich.:	A3B3C21D23 (1)
Weight, g/mol:	441.078814
ΔH_f, kcal/mol:	1.51
Dipole, Da:	5.4
IP(EA), eV:	-8.97(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-[[3-(4-chlorophenyl)-3-oxoprop-1-enyl]amino]phenyl]sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=C)NNC(=O)C(=CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations