Geometry & MOs

Info

ID:	36706
PubChem CID:	8011585
Reduced:	SN5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	96.45
Dipole, Da:	5.14
IP(EA), eV:	-9.05(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 3,4-dimethoxybenzoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[C@@H](C#N)SC2=NNC(=N2)N

DOS

IR

Vibrations