Geometry & MOs

Info

ID:	361354
PubChem CID:	127302663
Reduced:	OS2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	373.193632
ΔH_f, kcal/mol:	45.96
Dipole, Da:	2.54
IP(EA), eV:	-8.56(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

Drug info:

PubChemData

Smile

CN1C=C(C=N1)N2CCC(C2=O)SC3=NC=NC4=C3C5=C(S4)CCCC5

DOS

IR

Vibrations