Geometry & MOs

Info

ID:	329146
PubChem CID:	126731422
Reduced:	OSF2N6H20C23 (1)
Stoich.:	ABC2D6E20F23 (1)
Weight, g/mol:	496.138068
ΔH_f, kcal/mol:	11.55
Dipole, Da:	4.32
IP(EA), eV:	-8.74(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-2,4-difluorophenyl]-5-propylcyclohepta-1,2,4,6-tetraene-1-sulfinamide

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)SNC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C(=NC=N4)NCC5CC5)F

DOS

IR

Vibrations