Geometry & MOs

Info

ID:	137951
PubChem CID:	52289754
Reduced:	SO2N4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	394.200491
ΔH_f, kcal/mol:	45.59
Dipole, Da:	1.51
IP(EA), eV:	-9.14(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one

Drug info:

PubChemData

Smile

C1CC1C2=NOC(=N2)CN3CC4=CC=CC=C4C[C@H]3C(=O)NCCC5=CC=CS5

DOS

IR

Vibrations