Geometry & MOs

Info

ID:	231636
PubChem CID:	87574348
Reduced:	ClOSN6C17H19 (1)
Stoich.:	ABCD6E17F19 (1)
Weight, g/mol:	473.19978
ΔH_f, kcal/mol:	37.92
Dipole, Da:	0.73
IP(EA), eV:	-9.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[4-[6-amino-5-(1,3-benzothiazol-2-yl)pyridin-3-yl]pyrazol-1-yl]piperidin-1-yl]azetidin-1-yl]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C(=N1)C3=CC=C(C=C3)Cl)C(=NC=N2)N(C(=O)NC)S

DOS

IR

Vibrations