Geometry & MOs

Info

ID:	140102
PubChem CID:	52647392
Reduced:	NSO3C20H23 (1)
Stoich.:	ABC3D20E23 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-72.86
Dipole, Da:	4.5
IP(EA), eV:	-8.77(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[[(2R)-2-(4-phenylphenoxy)propanoyl]amino]methyl]phenyl]butanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@@H](C1=CC=CS1)NC(=O)/C=C/C2=CC3=C(C=C2)OCCO3

DOS

IR

Vibrations