Geometry & MOs

Info

ID:

59421

PubChem CID:

24859122

Reduced:

N11O17C46H75 (1)

Stoich.:

A11B17C46D75 (1)

Weight, g/mol:

523.221954

ΔHf, kcal/mol:

-802.06

Dipole, Da:

11.3

IP(EA), eV:

 -9.62(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(2E)-2-[5-(3-phenylmethoxyanilino)-3H-1,3,4-oxadiazol-2-ylidene]benzimidazol-5-yl]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)N

DOS

IR

Vibrations