Geometry & MOs

Info

ID:

439730

PubChem CID:

135229533

Reduced:

OS2N7C30H35 (1)

Stoich.:

AB2C7D30E35 (1)

Weight, g/mol:

461.240932

ΔHf, kcal/mol:

112.28

Dipole, Da:

6.7

IP(EA), eV:

 -8.34(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1E,5Z)-5-[3-[5-(2-chloro-3,6-difluorophenyl)pentylamino]but-3-en-2-ylideneamino]-2-methyl-N-propylhepta-1,5-dien-3-yn-1-amine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NNC3=CC=C(CC32)NC(=O)C(=C)[C@H]4CCN(C4)CC(=S)C5CCN(CC5)C6=NC=CS6

DOS

IR

Vibrations