Geometry & MOs

Info

ID:	190415
PubChem CID:	78001896
Reduced:	ClN3O6H22C23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	482.04477
ΔH_f, kcal/mol:	-187.23
Dipole, Da:	5.12
IP(EA), eV:	-9.72(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-[(4-chloro-2-fluorophenyl)methyl]-3-oxo-1,2-oxazole-5-carbonyl]amino]-4-(2-chlorophenyl)-2-hydroxybutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=CC(=N2)C(=O)NC(CC3=CC=CC=C3Cl)C(C(=O)O)O)C(=O)O

DOS

IR

Vibrations