Geometry & MOs

Info

ID:	184986
PubChem CID:	77236912
Reduced:	ClFO3N7H19C22 (1)
Stoich.:	ABC3D7E19F22 (1)
Weight, g/mol:	397.157246
ΔH_f, kcal/mol:	-24.83
Dipole, Da:	2.4
IP(EA), eV:	-9.35(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,6-dimethyl-2-[3-(1H-pyrrolo[3,2-c]pyridin-3-ylmethyl)morpholin-4-yl]-5,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1C(CN1CC(C(=O)NC2=CC=CC=N2)OC3=NC(=NC4=C3C=NN4)C5=C(C=CC=C5Cl)F)O

DOS

IR

Vibrations