Geometry & MOs

Info

ID:	34870
PubChem CID:	7979034
Reduced:	OSCl2N3C17H17 (1)
Stoich.:	ABC2D3E17F17 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	15.15
Dipole, Da:	6.75
IP(EA), eV:	-8.5(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butylamino)-2-oxoethyl] (3R,7aR)-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)CC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations