Geometry & MOs

Info

ID:	444002
PubChem CID:	135260968
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	379.110296
ΔH_f, kcal/mol:	-62.0
Dipole, Da:	6.35
IP(EA), eV:	-8.7(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-[4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)OC)NC2=NC=CC3=C2N(CCO3)CCC4=CC(=CC=C4)Cl

DOS

IR

Vibrations