Geometry & MOs

Info

ID:	149767
PubChem CID:	53789443
Reduced:	FSN3O4C12H12 (1)
Stoich.:	ABC3D4E12F12 (1)
Weight, g/mol:	514.217597
ΔH_f, kcal/mol:	-153.24
Dipole, Da:	3.26
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CC(=O)NC1=C(C=C(C(=C1)NS(=O)OC)C#N)F

DOS

IR

Vibrations