Geometry & MOs

Info

ID:	40208
PubChem CID:	8143754
Reduced:	SO2N5H21C22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	368.178573
ΔH_f, kcal/mol:	63.02
Dipole, Da:	4.06
IP(EA), eV:	-8.79(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(5S)-5-[2-[4-(difluoromethoxy)phenyl]ethyl]-5-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

C1CCN(C1)CN2C(=S)OC(=N2)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5

DOS

IR

Vibrations