Geometry & MOs

Info

ID:	83068
PubChem CID:	49857088
Reduced:	SiN5O5C31H49 (1)
Stoich.:	AB5C5D31E49 (1)
Weight, g/mol:	239.095771
ΔH_f, kcal/mol:	-239.35
Dipole, Da:	3.9
IP(EA), eV:	-8.62(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-acetamido-3-(3-fluorophenyl)propanoate

Drug info:

PubChemData

Smile

CC(C)C1=C2N=C(C=C(N2N=C1)N(CC3=CC=CC=C3)C(=O)OC(C)(C)C)N[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](CO)O

DOS

IR

Vibrations