Geometry & MOs

Info

ID:

144261

PubChem CID:

53339816

Reduced:

SO2F3N7C18H23 (2)

Stoich.:

AB2C3D7E18F23 (2)

Weight, g/mol:

584.227822

ΔHf, kcal/mol:

-389.75

Dipole, Da:

6.95

IP(EA), eV:

 -9.08(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methylamino]-4-methylphenyl]-4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1NC(=O)CCCCN=C(N)N)SCCN)NC(=O)C2=CC(=NC=N2)C(=O)NC3=CC(=CC(=C3SCCN)NC(=O)CCCCN=C(N)N)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations