Geometry & MOs

Info

ID:	37990
PubChem CID:	8026254
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	392.122835
ΔH_f, kcal/mol:	-70.46
Dipole, Da:	3.45
IP(EA), eV:	-8.9(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-(2,6-diethylanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)NC2=CC=CC(=C2)/C=C/C3=CC=CC=N3)CC

DOS

IR

Vibrations