Geometry & MOs

Info

ID:	187966
PubChem CID:	77649068
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	557.234828
ΔH_f, kcal/mol:	-10.71
Dipole, Da:	2.68
IP(EA), eV:	-8.38(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]phenyl]propyl]-4-methylsulfonylbenzamide

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2CC(OC2=O)CN3C=CC=N3

DOS

IR

Vibrations