Geometry & MOs

Info

ID:	125860
PubChem CID:	50941574
Reduced:	SN2O8C29H40 (1)
Stoich.:	AB2C8D29E40 (1)
Weight, g/mol:	297.101251
ΔH_f, kcal/mol:	-330.87
Dipole, Da:	6.91
IP(EA), eV:	-9.34(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[3-(4-fluorophenyl)propanoylamino]propanedioate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3OC2)O)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations