Geometry & MOs

Info

ID:	167467
PubChem CID:	74832372
Reduced:	FN3O5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	426.094227
ΔH_f, kcal/mol:	-189.53
Dipole, Da:	4.06
IP(EA), eV:	-9.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-(carboxymethylcarbamoyl)-3-(3-chlorophenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-[1,2]oxazolo[5,4-c]pyridin-7-yl]amino]acetic acid

Drug info:

PubChemData

Smile

CC1C2C(C(NO2)C3=CC=C(C=C3)F)C(=O)C(N1)C(=O)NCC(=O)O

DOS

IR

Vibrations