Geometry & MOs

Info

ID:	30995
PubChem CID:	854057
Reduced:	NO2H13C14 (1)
Stoich.:	AB2C13D14 (1)
Weight, g/mol:	232.067034
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	6.02
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7aR)-2-phenyl-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=CC=CC=C2CC(=O)O

DOS

IR

Vibrations