Geometry & MOs

Info

ID:	17550
PubChem CID:	504143
Reduced:	N3O3S3C20H25 (1)
Stoich.:	A3B3C3D20E25 (1)
Weight, g/mol:	451.105805
ΔH_f, kcal/mol:	-68.02
Dipole, Da:	9.63
IP(EA), eV:	-8.69(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=NC(=CS2)CC(=O)OCC

DOS

IR

Vibrations