Geometry & MOs

Info

ID:	17467
PubChem CID:	500117
Reduced:	N2O6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	350.147786
ΔH_f, kcal/mol:	-262.32
Dipole, Da:	4.51
IP(EA), eV:	-9.66(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)O

DOS

IR

Vibrations