Geometry & MOs

Info

ID:

329175

PubChem CID:

126731532

Reduced:

SO3F5N5H22C25 (1)

Stoich.:

AB3C5D5E22F25 (1)

Weight, g/mol:

593.12685

ΔHf, kcal/mol:

-275.91

Dipole, Da:

2.82

IP(EA), eV:

 -8.63(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[[(E)-1-amino-3-ethyliminoprop-1-en-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl]-2,4-difluorophenyl]-4-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC2=NC=NC3=C2C(=CN3)C(=O)C4C(C(=CC=C4F)NS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F)F

DOS

IR

Vibrations