Geometry & MOs

Info

ID:	395914
PubChem CID:	135026876
Reduced:	OSSiN3F6C24H37 (1)
Stoich.:	ABCD3E6F24G37 (1)
Weight, g/mol:	326.126657
ΔH_f, kcal/mol:	-425.3
Dipole, Da:	7.61
IP(EA), eV:	-8.85(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3R)-2-(benzylideneamino)-4-nitro-3-phenylbutanoate

Drug info:

PubChemData

Smile

C[C@@H]([C@@H](CN1CCCCC1)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations