Geometry & MOs

Info

ID:	85194
PubChem CID:	49872265
Reduced:	N4O6C27H34 (1)
Stoich.:	A4B6C27D34 (1)
Weight, g/mol:	474.158931
ΔH_f, kcal/mol:	-167.36
Dipole, Da:	2.29
IP(EA), eV:	-9.27(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

(2R)-2-amino-N-[(2S)-1-[4-[(E)-2-(1-methyl-4H-quinolin-4-yl)ethenyl]anilino]-1-oxopropan-2-yl]propanamide;dichloride

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C2=NC(=NO2)C3=CC(=NC(=C3)OC)C4CCCC4)C)OC[C@@H](CNC(=O)CO)O

DOS

IR

Vibrations