Geometry & MOs

Info

ID:

329144

PubChem CID:

126731400

Reduced:

ClH25C36 (1)

Stoich.:

AB25C36 (1)

Weight, g/mol:

487.108994

ΔHf, kcal/mol:

128.5

Dipole, Da:

2.19

IP(EA), eV:

 -8.96(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(cyclopropylmethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[3-[(2,5-difluorophenyl)sulfanylamino]-2,6-difluorophenyl]methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC=C3)C4=CC(=CC=C4)C5=CC(=CC(=C5)C6=CC=CC=C6)Cl

DOS

IR

Vibrations