Geometry & MOs

Info

ID:	242593
PubChem CID:	97857512
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	328.133554
ΔH_f, kcal/mol:	-86.84
Dipole, Da:	2.37
IP(EA), eV:	-8.5(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aS)-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)S(=O)(=O)NC)NC2=CC=CC(=C2)[C@@H](C)OC

DOS

IR

Vibrations