Geometry & MOs

Info

ID:

379791

PubChem CID:

134464899

Reduced:

NSH37C53 (1)

Stoich.:

ABC37D53 (1)

Weight, g/mol:

446.117939

ΔHf, kcal/mol:

196.93

Dipole, Da:

2.53

IP(EA), eV:

 -7.96(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(1Z,3E)-3-[5-[(2-chloro-4-methylphenyl)sulfonylamino]-6-methylpyridin-3-yl]-1-(methylideneamino)penta-1,3-dienyl]acetamide

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)SC7=CC=CC=C76)C8=CC=C(C=C8)C9=CC1=CC=CC=C1C1=CC=CC=C19)C

DOS

IR

Vibrations