Geometry & MOs

Info

ID:	34917
PubChem CID:	7979085
Reduced:	ClF2N3O4H14C17 (1)
Stoich.:	AB2C3D4E14F17 (1)
Weight, g/mol:	404.176979
ΔH_f, kcal/mol:	-207.51
Dipole, Da:	3.8
IP(EA), eV:	-9.9(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[di(propan-2-yl)amino]-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

C1=CC=C(C(=C1)C(=O)NCC(=O)NNC(=O)C2=CC(=CC=C2)Cl)OC(F)F

DOS

IR

Vibrations