Geometry & MOs

Info

ID:	187742
PubChem CID:	77618150
Reduced:	ClN3O4H22C27 (1)
Stoich.:	AB3C4D22E27 (1)
Weight, g/mol:	519.107624
ΔH_f, kcal/mol:	-59.75
Dipole, Da:	2.91
IP(EA), eV:	-9.38(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[(2,6-dichlorobenzoyl)amino]phenyl]methyl]-2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)OC)NC(=O)C2=C(N=CC(=C2)Cl)OC3=CC=CC(=C3)C4=CC=CC=N4

DOS

IR

Vibrations