Geometry & MOs

Info

ID:	85161
PubChem CID:	49872162
Reduced:	N3O5C25H33 (1)
Stoich.:	A3B5C25D33 (1)
Weight, g/mol:	467.220892
ΔH_f, kcal/mol:	-137.82
Dipole, Da:	3.58
IP(EA), eV:	-9.41(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-5-[4-[(E)-2-(1-benzyl-4H-quinolin-4-yl)ethenyl]anilino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C(=CC(=C1)C2=NOC(=N2)C3=CC(=NC(=C3)OC)CCC(C)C)C)OC[C@H](CO)O

DOS

IR

Vibrations