Geometry & MOs

Info

ID:	168530
PubChem CID:	74982902
Reduced:	N3O7C19H19 (1)
Stoich.:	A3B7C19D19 (1)
Weight, g/mol:	513.157007
ΔH_f, kcal/mol:	-201.23
Dipole, Da:	3.33
IP(EA), eV:	-9.65(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-[5-(4-amino-5-hydroxyazepan-1-yl)-1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=C(O1)C(=O)OC2=CC=C(C=C2)C(=N)N)/C(=O)N[C@@H](CO)C(=O)O

DOS

IR

Vibrations