Geometry & MOs

Info

ID:	34872
PubChem CID:	7979036
Reduced:	OSF3N3H18C19 (1)
Stoich.:	ABC3D3E18F19 (1)
Weight, g/mol:	376.145678
ΔH_f, kcal/mol:	-107.52
Dipole, Da:	5.42
IP(EA), eV:	-8.52(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(butylamino)-2-oxoethyl] (3S,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)/C=C/C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations