Geometry & MOs

Info

ID:	436298
PubChem CID:	135198464
Reduced:	ClNOF2H18C19 (1)
Stoich.:	ABCD2E18F19 (1)
Weight, g/mol:	325.084475
ΔH_f, kcal/mol:	-120.61
Dipole, Da:	4.2
IP(EA), eV:	-9.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(3-carbamoyl-5-isocyanato-3a,6a-dihydropyrazolo[4,3-d][1,3]thiazol-1-yl)acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CC1C(=O)NC2=CC=CC(=C2F)C3=CC=CC=C3Cl)F

DOS

IR

Vibrations