Geometry & MOs

Info

ID:

416365

PubChem CID:

135089378

Reduced:

NO5C17H25 (1)

Stoich.:

AB5C17D25 (1)

Weight, g/mol:

575.274384

ΔHf, kcal/mol:

-207.55

Dipole, Da:

6.15

IP(EA), eV:

 -8.36(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-[2-ethyl-5-(2-methylpropyl)pyrazole-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

CC(C)OC1=CC=CC=C1OCCN2CC[C@H]([C@H](C2)C(=O)O)O

DOS

IR

Vibrations