Geometry & MOs

Info

ID:

315270

PubChem CID:

126625358

Reduced:

N5O8C60H61 (1)

Stoich.:

A5B8C60D61 (1)

Weight, g/mol:

927.420714

ΔHf, kcal/mol:

-159.13

Dipole, Da:

9.41

IP(EA), eV:

 -8.86(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1-benzylpiperidin-4-yl)methyl 2-[3-[[4-[2-[[4-[[[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl]amino]methyl]benzoyl]amino]ethylcarbamoyl]phenyl]methoxy]phenyl]-2-phenylacetate

Drug info:

PubChemData

Smile

C1CN(CCC1COC(=O)C(C2=CC=CC=C2)C3=CC(=CC=C3)OCC4=CC=C(C=C4)C(=O)N5CC6(C5)CN(C6)C(=O)C7=CC=C(C=C7)CCNC[C@@H](C8=C9C=CC(=O)NC9=C(C=C8)O)O)CC1=CC=CC=C1

DOS

IR

Vibrations