Geometry & MOs

Info

ID:	167468
PubChem CID:	74832373
Reduced:	ClN4O7C17H19 (1)
Stoich.:	AB4C7D17E19 (1)
Weight, g/mol:	377.077848
ΔH_f, kcal/mol:	-220.07
Dipole, Da:	5.92
IP(EA), eV:	-9.79(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(4-chlorophenyl)-7-ethynyl-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-[1,2]oxazolo[5,4-c]pyridine-5-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2C3C(C(NC(C3=O)C(=O)NCC(=O)O)NCC(=O)O)ON2

DOS

IR

Vibrations