Geometry & MOs

Info

ID:

418937

PubChem CID:

135107162

Reduced:

OSN4C14H18 (1)

Stoich.:

ABC4D14E18 (1)

Weight, g/mol:

599.274384

ΔHf, kcal/mol:

20.12

Dipole, Da:

2.13

IP(EA), eV:

 -9.06(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5,6-dimethoxy-14-(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)-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=NC(=CS1)CN2C[C@H]([C@@H](C2)O)CC3=NC=CN=C3

DOS

IR

Vibrations