Geometry & MOs

Info

ID:	329207
PubChem CID:	126731986
Reduced:	NF2O4C8H11 (1)
Stoich.:	AB2C4D8E11 (1)
Weight, g/mol:	529.130792
ΔH_f, kcal/mol:	-268.64
Dipole, Da:	4.38
IP(EA), eV:	-10.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(E)-3-amino-1-methyliminobut-2-en-2-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[3-[(2,5-difluorophenyl)sulfanylamino]-2,6-difluorophenyl]methanone

Drug info:

PubChemData

Smile

CCC(=O)NC(C)C(=O)C(C(=O)O)(F)F

DOS

IR

Vibrations