Geometry & MOs

Info

ID:	420388
PubChem CID:	135112890
Reduced:	S2N3O4C15H19 (1)
Stoich.:	A2B3C4D15E19 (1)
Weight, g/mol:	380.184841
ΔH_f, kcal/mol:	-112.88
Dipole, Da:	3.49
IP(EA), eV:	-9.38(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)C2=CC3=C(C=C2)SC=N3

DOS

IR

Vibrations