Geometry & MOs

Info

ID:	57498
PubChem CID:	22396103
Reduced:	SCl2N2O7C24H28 (1)
Stoich.:	AB2C2D7E24F28 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-261.12
Dipole, Da:	4.7
IP(EA), eV:	-9.04(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-acetyl-3,4-dihydro-1H-isoquinoline-3-carbonyl)amino]hexanoic acid

Drug info:

PubChemData

Smile

CCOCC(C(=O)C1CCCN1S(=O)(=O)C2=CC(=CC(=C2)Cl)Cl)OC3=CC=C(C=C3)CC(C(=O)O)N

DOS

IR

Vibrations