Geometry & MOs

Info

ID:	124546
PubChem CID:	50887197
Reduced:	NO3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	541.01684
ΔH_f, kcal/mol:	-36.81
Dipole, Da:	0.74
IP(EA), eV:	-8.13(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4Z)-4-[(4-ethoxy-3-iodo-5-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)O

DOS

IR

Vibrations