Geometry & MOs

Info

ID:	369576
PubChem CID:	127334763
Reduced:	SO2N3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	7.6
IP(EA), eV:	-8.84(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N2)C3CCCN3C(=O)C4=CC5=C(S4)CCOC5

DOS

IR

Vibrations