Geometry & MOs

Info

ID:	160575
PubChem CID:	57389105
Reduced:	F3N3O4C27H28 (1)
Stoich.:	A3B3C4D27E28 (1)
Weight, g/mol:	527.203191
ΔH_f, kcal/mol:	-275.88
Dipole, Da:	1.34
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[[(R)-oxan-4-yl-[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]pyridine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCC(C1=C(C=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)OC)NC3=NC=C(C=C3)C(=O)NCCC(=O)O

DOS

IR

Vibrations