Geometry & MOs

Info

ID:	369581
PubChem CID:	127334768
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	387.161663
ΔH_f, kcal/mol:	-82.75
Dipole, Da:	3.95
IP(EA), eV:	-8.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,1-dioxothian-4-yl)-[2-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N2)C3CCCN3C(=O)CN4CCCS4(=O)=O

DOS

IR

Vibrations