Geometry & MOs

Info

ID:	336336
PubChem CID:	127255343
Reduced:	ClN2S2O5H23C28 (1)
Stoich.:	AB2C2D5E23F28 (1)
Weight, g/mol:	378.241962
ΔH_f, kcal/mol:	-141.51
Dipole, Da:	6.27
IP(EA), eV:	-9.23(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-6-pyrrol-1-ylhexan-1-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)N2C(=O)[C@@H]3C4CC(C3C2=O)C5[C@H]4SC6=C(C5C7=CC=C(C=C7)Cl)SC(=O)N6

DOS

IR

Vibrations