Geometry & MOs

Info

ID:	160574
PubChem CID:	57389092
Reduced:	S2O4N6C9H14 (1)
Stoich.:	A2B4C6D9E14 (1)
Weight, g/mol:	515.203191
ΔH_f, kcal/mol:	-53.08
Dipole, Da:	8.04
IP(EA), eV:	-9.46(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[6-[1-[2-methoxy-4-[4-(trifluoromethyl)phenyl]phenyl]butylamino]pyridine-3-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=C2N=NN(C(=O)N2C=N1)CSCOC

DOS

IR

Vibrations