Geometry & MOs

Info

ID:	401044
PubChem CID:	135049901
Reduced:	NSiF3O6C16H28 (1)
Stoich.:	ABC3D6E16F28 (1)
Weight, g/mol:	311.152144
ΔH_f, kcal/mol:	-511.17
Dipole, Da:	4.53
IP(EA), eV:	-10.17(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-(3-benzylanilino)-3-hydroxybut-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CO[C@]([C@@H]1CCC(=O)OC)(C(F)(F)F)O[Si](C)(C)C

DOS

IR

Vibrations