Geometry & MOs

Info

ID:	243105
PubChem CID:	99215684
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	430.225643
ΔH_f, kcal/mol:	66.14
Dipole, Da:	1.73
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(1S)-1-[5-(4-methoxyphenyl)pentanoylamino]ethyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1C[C@@H](CN(C1)CC2=CC=CC=C2)C(=O)NC3=NNC(=N3)C4=CC=CS4

DOS

IR

Vibrations