Geometry & MOs

Info

ID:

416483

PubChem CID:

135089498

Reduced:

ON4C18H24 (1)

Stoich.:

AB4C18D24 (1)

Weight, g/mol:

524.227099

ΔHf, kcal/mol:

10.84

Dipole, Da:

1.77

IP(EA), eV:

 -8.58(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(3S,7S)-13-methoxy-9,17-dioxo-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaen-5-yl]-2-oxoethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC4=CC=CC=C4N=C3)CO

DOS

IR

Vibrations