Geometry & MOs

Info

ID:	160539
PubChem CID:	57388982
Reduced:	FON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	659.103944
ΔH_f, kcal/mol:	-45.4
Dipole, Da:	4.27
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(1R,3S)-3-[[3,5-difluoro-6-[5-fluoro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-yl]amino]cyclohexyl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=NC(=NC=C2C(=O)C1)NC3=CC(=CC=C3)F)C

DOS

IR

Vibrations