Geometry & MOs

Info

ID:

162133

PubChem CID:

57393722

Reduced:

O4N8C22H29 (2)

Stoich.:

A4B8C22D29 (2)

Weight, g/mol:

579.312187

ΔHf, kcal/mol:

-178.36

Dipole, Da:

7.0

IP(EA), eV:

 -8.93(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[2-[4-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]piperazin-1-yl]-(1H-indol-2-yl)methanone

Drug info:

PubChemData

Smile

CN(CC[C@@H](C(=O)NCC1=CC(=CC=C1)C2=CC=CC(=C2)CNC(=O)[C@H](CCN(C)C[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)N)N)C[C@@H]6[C@H]([C@H]([C@@H](O6)N7C=NC8=C(N=CN=C87)N)O)O

DOS

IR

Vibrations