Geometry & MOs

Info

ID:	146190
PubChem CID:	53648854
Reduced:	NO2C24H31 (1)
Stoich.:	AB2C24D31 (1)
Weight, g/mol:	463.243084
ΔH_f, kcal/mol:	-44.65
Dipole, Da:	3.17
IP(EA), eV:	-8.42(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,3-dimethylbutanoylamino)-3-[[2-hydroxy-4-[2-(1,4,5,6-tetrahydropyrimidin-2-ylamino)ethoxy]benzoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CC(CN(C1)CCCCOC2=CC=CC=C2C=CC3=CC=CC=C3)CO

DOS

IR

Vibrations