Geometry & MOs

Info

ID:	311211
PubChem CID:	126589921
Reduced:	FOSN2H19C21 (1)
Stoich.:	ABCD2E19F21 (1)
Weight, g/mol:	276.095751
ΔH_f, kcal/mol:	13.72
Dipole, Da:	5.09
IP(EA), eV:	-7.89(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(1-carboxypropan-2-ylcarbamoylamino)pentanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC2=C3C(=NC=C2)C=C(S3)C4=CCCC=CN4C)F

DOS

IR

Vibrations