Geometry & MOs

Info

ID:	223598
PubChem CID:	85335291
Reduced:	FCl2O2N4C21H21 (1)
Stoich.:	AB2C2D4E21F21 (1)
Weight, g/mol:	451.206698
ΔH_f, kcal/mol:	-64.74
Dipole, Da:	6.08
IP(EA), eV:	-8.9(-1.44)
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-(propan-2-yloxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

C1CN(CCC1(CNC2=NC(=O)C3C=CC=CC3=N2)F)CC4=C(C(=CC(=C4)Cl)Cl)O

DOS

IR

Vibrations