Geometry & MOs

Info

ID:	435086
PubChem CID:	135180140
Reduced:	SCl2O3N4H20C24 (1)
Stoich.:	AB2C3D4E20F24 (1)
Weight, g/mol:	508.073882
ΔH_f, kcal/mol:	-12.25
Dipole, Da:	3.81
IP(EA), eV:	-8.51(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-3-[[2-(2,6-dichloro-3,5-dimethoxyphenyl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]amino]oxan-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=C3C=C(SC3=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl

DOS

IR

Vibrations