Geometry & MOs

Info

ID:	138174
PubChem CID:	52323456
Reduced:	OSN3C20H22 (1)
Stoich.:	ABC3D20E22 (1)
Weight, g/mol:	356.137222
ΔH_f, kcal/mol:	40.57
Dipole, Da:	10.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755940
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (2R)-2-(furan-2-carbonylamino)propanoate

Drug info:

PubChemData

Smile

C1C([NH2+]C2N(C1=O)C=CS2)CNC(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations