Geometry & MOs

Info

ID:	184738
PubChem CID:	77200811
Reduced:	N2O6C19H20 (1)
Stoich.:	A2B6C19D20 (1)
Weight, g/mol:	538.13859
ΔH_f, kcal/mol:	-184.28
Dipole, Da:	5.75
IP(EA), eV:	-9.37(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[1-[[6-[(5-chloro-2-methoxyphenyl)methyl]-3,7-dioxo-1,4-diazepane-1-carbonyl]amino]propyl]benzoic acid;hydrochloride

Drug info:

PubChemData

Smile

CN1C2CCC1(CC(C2)OC3=NC4=CC=CC=C4O3)C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations