Geometry & MOs

Info

ID:	17324
PubChem CID:	492978
Reduced:	Cl2N5O5C22H23 (1)
Stoich.:	A2B5C5D22E23 (1)
Weight, g/mol:	507.107624
ΔH_f, kcal/mol:	-172.91
Dipole, Da:	9.36
IP(EA), eV:	-9.33(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dichlorophenyl)-3-[[2-[[3-[(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)amino]benzoyl]amino]acetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1C(CN=C(N1)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CC(=CC(=C3)Cl)Cl)O

DOS

IR

Vibrations