Geometry & MOs

Info

ID:

418627

PubChem CID:

135106462

Reduced:

ON4C17H22 (1)

Stoich.:

AB4C17D22 (1)

Weight, g/mol:

530.216535

ΔHf, kcal/mol:

8.17

Dipole, Da:

1.59

IP(EA), eV:

 -8.72(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(2,6-dimethylpyridine-3-carbonyl)-13-methoxy-2,15-dioxa-5,8,18-triazatetracyclo[18.2.2.110,14.03,7]pentacosa-1(23),10(25),11,13,20(24),21-hexaene-9,17-dione

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1)N2C[C@H]([C@@H](C2)O)CC3=CC=NC=C3

DOS

IR

Vibrations