Geometry & MOs

Info

ID:	78858
PubChem CID:	49738094
Reduced:	ClOSN5C20H20 (1)
Stoich.:	ABCD5E20F20 (1)
Weight, g/mol:	282.03421
ΔH_f, kcal/mol:	47.11
Dipole, Da:	1.46
IP(EA), eV:	-8.41(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(5-chloropyridin-2-yl)amino]-1,3-thiazol-4-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CC3=CSC(=N3)NC4=NC=C(C=C4)Cl

DOS

IR

Vibrations