Geometry & MOs

Info

ID:

81293

PubChem CID:

49854563

Reduced:

S2N9O10C31H41 (1)

Stoich.:

A2B9C10D31E41 (1)

Weight, g/mol:

492.146741

ΔHf, kcal/mol:

-319.93

Dipole, Da:

8.04

IP(EA), eV:

 -9.17(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[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=CC3=CC=CC=C32)C(=O)NC4=NN=C(S4)S(=O)(=O)N)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations