Geometry & MOs

Info

ID:

327668

PubChem CID:

126690689

Reduced:

F3N3O6H40C42 (1)

Stoich.:

A3B3C6D40E42 (1)

Weight, g/mol:

412.178693

ΔHf, kcal/mol:

-294.84

Dipole, Da:

6.08

IP(EA), eV:

 -8.84(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[methyl-[[4-[4-[4-(4-methylphenyl)phenyl]-1,3-oxazol-2-yl]phenyl]methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(C)/C(=C/C=C(\C)/CN(CC(=O)O)C(=O)C3=CC=C(C=C3)NC(=O)CC4=C(C=C(C=C4)OC)C(F)(F)F)/C=C

DOS

IR

Vibrations