Geometry & MOs

Info

ID:	17549
PubChem CID:	504141
Reduced:	N3O3S3C15H23 (1)
Stoich.:	A3B3C3D15E23 (1)
Weight, g/mol:	389.090155
ΔH_f, kcal/mol:	-101.28
Dipole, Da:	7.16
IP(EA), eV:	-8.32(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[2-(diethylcarbamothioylsulfanyl)propanoylamino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SC(C)C(=O)NC1=NC(=CS1)CC(=O)OCC

DOS

IR

Vibrations