Geometry & MOs

Info

ID:	79557
PubChem CID:	49829492
Reduced:	ClOSN4C23H27 (1)
Stoich.:	ABCD4E23F27 (1)
Weight, g/mol:	445.086305
ΔH_f, kcal/mol:	3.19
Dipole, Da:	6.92
IP(EA), eV:	-8.87(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2C)C)C)CCC3=CC=CC=C3Cl

DOS

IR

Vibrations