Geometry & MOs

Info

ID:

414761

PubChem CID:

135087723

Reduced:

O7N10C41H50 (1)

Stoich.:

A7B10C41D50 (1)

Weight, g/mol:

392.184841

ΔHf, kcal/mol:

-158.32

Dipole, Da:

7.84

IP(EA), eV:

 -8.22(-2.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)NCCCC[C@@H](C(=O)N1)NC(=O)C3=CN=C(N=C3)C4=CN=CC=C4)O)CC(C)C)CC5=CNC6=CC=CC=C65

DOS

IR

Vibrations