Geometry & MOs

Info

ID:	68822
PubChem CID:	46509156
Reduced:	ClN3O4H18C22 (1)
Stoich.:	AB3C4D18E22 (1)
Weight, g/mol:	443.162725
ΔH_f, kcal/mol:	-86.36
Dipole, Da:	7.93
IP(EA), eV:	-8.63(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(4-morpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C1C(CN(C1=O)C2=CC=CC=C2Cl)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CO4

DOS

IR

Vibrations