Geometry & MOs

Info

ID:

191084

PubChem CID:

78102716

Reduced:

F3N4O4H23C29 (1)

Stoich.:

A3B4C4D23E29 (1)

Weight, g/mol:

582.128167

ΔHf, kcal/mol:

-231.43

Dipole, Da:

5.65

IP(EA), eV:

 -9.37(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[5-[4-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyridine-2-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=NC=C(C=C2)C3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations