Geometry & MOs

Info

ID:	406441
PubChem CID:	135077643
Reduced:	NSF3O3H14C16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	548.267508
ΔH_f, kcal/mol:	-191.6
Dipole, Da:	5.92
IP(EA), eV:	-8.78(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(benzhydrylideneamino)acetyl]-tert-butylamino]-3-(4-phenylmethoxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C=CC1=CC=CC=C1C2=CC=CC=[N+]2C=C.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations