Geometry & MOs

Info

ID:	78859
PubChem CID:	49738104
Reduced:	ClOSN4C11H11 (1)
Stoich.:	ABCD4E11F11 (1)
Weight, g/mol:	402.091725
ΔH_f, kcal/mol:	12.14
Dipole, Da:	2.61
IP(EA), eV:	-8.96(-1.14)
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-[2-(2-methoxyphenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CNC(=O)CC1=CSC(=N1)NC2=NC=C(C=C2)Cl

DOS

IR

Vibrations