Geometry & MOs

Info

ID:	159523
PubChem CID:	57288413
Reduced:	ClSiF4C14H14 (1)
Stoich.:	ABC4D14E14 (1)
Weight, g/mol:	510.260411
ΔH_f, kcal/mol:	-145.57
Dipole, Da:	2.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751519
Charge, e:	1

Chem-info

IUPAC name:

benzyl (2S)-1-[(2S)-2-aminopropanoyl]-1-[1-ethoxy-4-(N-formylanilino)-1-oxobutan-2-yl]pyrrolidin-1-ium-2-carboxylate

Drug info:

PubChemData

Smile

C1C[Si](CCC1C2=CC(=C(C(=C2)F)C(=CF)F)F)CCl

DOS

IR

Vibrations