Geometry & MOs

Info

ID:	146293
PubChem CID:	53665114
Reduced:	ON2C13H28 (1)
Stoich.:	AB2C13D28 (1)
Weight, g/mol:	559.214092
ΔH_f, kcal/mol:	-85.5
Dipole, Da:	3.52
IP(EA), eV:	-8.96(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[(2S)-3-(3-cyanophenyl)-2-(naphthalen-2-ylsulfonylamino)propanoyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCCCCCNCCCCCCNC=O

DOS

IR

Vibrations