Geometry & MOs

Info

ID:	391602
PubChem CID:	135006913
Reduced:	NSF3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	283.157229
ΔH_f, kcal/mol:	-205.39
Dipole, Da:	16.95
IP(EA), eV:	-9.6(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(S)-(4-methoxyanilino)-phenylmethyl]butanal

Drug info:

PubChemData

Smile

CC(C)(C)C1=C([C@H]2C[C@@H]1C=C2)C(=[N+](C)C)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations