Geometry & MOs

Info

ID:	311097
PubChem CID:	126589392
Reduced:	NF2O2C21H25 (1)
Stoich.:	AB2C2D21E25 (1)
Weight, g/mol:	298.116486
ΔH_f, kcal/mol:	-173.66
Dipole, Da:	5.09
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[acetyl(propanoyl)amino] 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2C(F)F)CC(=O)NC)C

DOS

IR

Vibrations