Geometry & MOs

Info

ID:

81102

PubChem CID:

49854354

Reduced:

SN7O10C33H47 (1)

Stoich.:

AB7C10D33E47 (1)

Weight, g/mol:

492.146741

ΔHf, kcal/mol:

-370.31

Dipole, Da:

3.85

IP(EA), eV:

 -9.19(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-(1-methoxypropan-2-yloxy)-N-(1,3-thiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CN(CCN(CCN(CCN1CC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations