Geometry & MOs

Info

ID:	54572
PubChem CID:	17388925
Reduced:	ClN2O3H17C21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	373.109627
ΔH_f, kcal/mol:	-16.59
Dipole, Da:	6.24
IP(EA), eV:	-8.8(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-oxo-2-[2-[(Z)-(6-oxo-5-prop-2-enylcyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)NN/C=C\3/C=C(C=CC3=O)Cl

DOS

IR

Vibrations