Geometry & MOs

Info

ID:	34889
PubChem CID:	7979056
Reduced:	OSCl2N3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	39.12
Dipole, Da:	3.39
IP(EA), eV:	-8.62(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-methylpropylamino)-2-oxoethyl] (3S,7aS)-5-oxo-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylate

Drug info:

PubChemData

Smile

CN(C(=S)NCC1=CC=CC=C1)NC(=O)/C=C/C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations