Geometry & MOs

Info

ID:

128372

PubChem CID:

51041784

Reduced:

ClN17O17C84H106 (1)

Stoich.:

AB17C17D84E106 (1)

Weight, g/mol:

520.158993

ΔHf, kcal/mol:

-616.39

Dipole, Da:

10.1

IP(EA), eV:

 -8.41(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[(3-chlorocyclopentyl)methoxy]phenyl]-5,6-difluoro-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazole

Drug info:

PubChemData

Smile

C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)CN3CCOCC3)NC(=O)[C@H](CC4=CC=C(C=C4)CN(CCC(=O)O)CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)N7C(=O)C(NC7=O)CC8=CC9=CC=CC=C9C=C8

DOS

IR

Vibrations