Geometry & MOs

Info

ID:	32679
PubChem CID:	7847112
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	416.209993
ΔH_f, kcal/mol:	-125.36
Dipole, Da:	5.06
IP(EA), eV:	-9.11(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate

Drug info:

PubChemData

Smile

CCC1=NC2=CC=CC=C2C(=C1C)C(=O)O[C@H](C)C(=O)N3[C@@H](CCC[C@@H]3C)C

DOS

IR

Vibrations