Geometry & MOs

Info

ID:

419822

PubChem CID:

135109192

Reduced:

SN4O4C17H24 (1)

Stoich.:

AB4C4D17E24 (1)

Weight, g/mol:

562.231516

ΔHf, kcal/mol:

-85.42

Dipole, Da:

8.44

IP(EA), eV:

 -8.52(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-(3-hydroxy-4-methoxybenzoyl)-5,6-dimethoxy-17,20-dioxa-11,14-diazatetracyclo[19.2.2.02,11.03,8]pentacosa-1(23),3,5,7,21,24-hexaen-12-one

Drug info:

PubChemData

Smile

CC1=C(NN=C1C2=CC=C(O2)S(=O)(=O)N3C[C@H]4CN([C@@H](C3)COC4)C)C

DOS

IR

Vibrations