Geometry & MOs

Info

ID:	122972
PubChem CID:	50829320
Reduced:	FO2N5C25H30 (1)
Stoich.:	AB2C5D25E30 (1)
Weight, g/mol:	480.146741
ΔH_f, kcal/mol:	-59.74
Dipole, Da:	4.74
IP(EA), eV:	-8.45(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[3-[(2-acetamido-5-methylphenyl)sulfonylamino]phenoxy]-N-prop-2-enylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=O)C(=CN2C)C(=O)N3CCC(CC3)N4CCCCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations