Geometry & MOs

Info

ID:	79786
PubChem CID:	49830359
Reduced:	FOSN6H19C24 (1)
Stoich.:	ABCD6E19F24 (1)
Weight, g/mol:	498.183795
ΔH_f, kcal/mol:	47.44
Dipole, Da:	6.71
IP(EA), eV:	-8.26(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[4-amino-7-[1-(2-hydroxypropyl)pyrazol-4-yl]thieno[3,2-c]pyridin-3-yl]phenyl]-3-(3-methylphenyl)urea

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN=C(C3=C2SC=C3C4=CC=C(C=C4)NC(=O)NC5=CC(=CC=C5)F)N

DOS

IR

Vibrations