Geometry & MOs

Info

ID:

420529

PubChem CID:

135113658

Reduced:

NS2O5C16H23 (1)

Stoich.:

AB2C5D16E23 (1)

Weight, g/mol:

546.211449

ΔHf, kcal/mol:

-189.42

Dipole, Da:

11.49

IP(EA), eV:

 -9.81(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,7S)-5-(1-ethyl-2-oxopyridine-4-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

CCC1=CC=C(S1)S(=O)(=O)N2CC[C@H]([C@@](C2)(CC3CC3)C(=O)O)O

DOS

IR

Vibrations