Geometry & MOs

Info

ID:	435102
PubChem CID:	135180416
Reduced:	F2N3O3C19H21 (1)
Stoich.:	A2B3C3D19E21 (1)
Weight, g/mol:	593.140816
ΔH_f, kcal/mol:	-122.4
Dipole, Da:	2.0
IP(EA), eV:	-8.64(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-[[7-(2,6-dichloro-3,5-dimethoxyphenyl)-5-(3,3-difluoropyrrolidin-1-yl)-2,6-naphthyridin-3-yl]amino]oxolan-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1F)C2=CC(=C)C(=N)C(=N2)NC3CCOCC3)F)OC

DOS

IR

Vibrations