Geometry & MOs

Info

ID:	143250
PubChem CID:	53172857
Reduced:	SO2N5C23H25 (1)
Stoich.:	AB2C5D23E25 (1)
Weight, g/mol:	380.110711
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	7.1
IP(EA), eV:	-8.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-N-(4-fluoro-2-methylphenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)NC(=O)C)C

DOS

IR

Vibrations