Geometry & MOs

Info

ID:

419560

PubChem CID:

135108417

Reduced:

N2O5C17H22 (1)

Stoich.:

A2B5C17D22 (1)

Weight, g/mol:

553.247124

ΔHf, kcal/mol:

-189.55

Dipole, Da:

8.55

IP(EA), eV:

 -9.46(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17S)-21-methyl-17-(2-methylsulfanylethyl)-11-(1H-pyrrole-2-carbonyl)-2-oxa-6,7,8,11,15,18-hexazatricyclo[18.3.1.16,9]pentacosa-1(24),7,9(25),20,22-pentaene-16,19-dione

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2C[C@H]3CN([C@@H](C2)COC3)CC(=O)O)O

DOS

IR

Vibrations