Geometry & MOs

Info

ID:	132002
PubChem CID:	51289485
Reduced:	S2N3O3C17H21 (1)
Stoich.:	A2B3C3D17E21 (1)
Weight, g/mol:	385.032161
ΔH_f, kcal/mol:	-89.5
Dipole, Da:	4.47
IP(EA), eV:	-8.67(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]sulfanyl-4-methyl-1,3-thiazol-5-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)SCC(=O)NCCC2=CC=C(C=C2)OC)CC(=O)N

DOS

IR

Vibrations