Geometry & MOs

Info

ID:	307356
PubChem CID:	125299676
Reduced:	N2O5C19H22 (1)
Stoich.:	A2B5C19D22 (1)
Weight, g/mol:	323.084081
ΔH_f, kcal/mol:	-101.02
Dipole, Da:	2.56
IP(EA), eV:	-8.51(-2.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-4-pyridin-4-yl-2,3-dihydro-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=N1)[C@H](CC(=O)OC)C2=CC(=C(C=C2)OCC(=C)C)OC

DOS

IR

Vibrations