Geometry & MOs

Info

ID:	191396
PubChem CID:	78142041
Reduced:	NO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	633.256541
ΔH_f, kcal/mol:	-127.45
Dipole, Da:	7.26
IP(EA), eV:	-9.03(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-(4-methoxypyridin-2-yl)hexanamide;but-2-enedioic acid

Drug info:

PubChemData

Smile

CCN1CC(=CC2=CC=CC=C2C(=O)O)C(=O)C(=CC3=CC=CC=C3C(=O)O)C1

DOS

IR

Vibrations