Geometry & MOs

Info

ID:

327670

PubChem CID:

126690693

Reduced:

N2F4O7H34C40 (1)

Stoich.:

A2B4C7D34E40 (1)

Weight, g/mol:

392.148455

ΔHf, kcal/mol:

-369.5

Dipole, Da:

5.96

IP(EA), eV:

 -9.27(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[formyl-[[4-[5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

C/C(=C\C=C/C(=C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CN(CC(=O)O)C(=O)C3=CC=C(C=C3)NC(=O)CC4=C(C=C(C=C4)OC)C(F)(F)F)/F

DOS

IR

Vibrations