Geometry & MOs

Info

ID:	419818
PubChem CID:	135109185
Reduced:	O2N3C19H27 (1)
Stoich.:	A2B3C19D27 (1)
Weight, g/mol:	602.321668
ΔH_f, kcal/mol:	-53.24
Dipole, Da:	7.39
IP(EA), eV:	-8.13(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-3,6,15-trioxo-1,4,7,11-tetrazacyclopentadec-11-yl]methyl]quinolin-6-yl]acetamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations