Geometry & MOs

Info

ID:	143633
PubChem CID:	53238497
Reduced:	FON9C25H34 (1)
Stoich.:	ABC9D25E34 (1)
Weight, g/mol:	408.106768
ΔH_f, kcal/mol:	35.98
Dipole, Da:	3.41
IP(EA), eV:	-8.59(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,4-difluoro-3-(4-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2-methylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1(CC(CC(N1C)(C)C)NC2=NC(=NC=C2F)NC3=CC(=CC(=C3)C4CC4)N5C(=O)N(N=N5)C)C

DOS

IR

Vibrations