Geometry & MOs

Info

ID:

416201

PubChem CID:

135089211

Reduced:

NOC8H10 (2)

Stoich.:

ABC8D10 (2)

Weight, g/mol:

576.206736

ΔHf, kcal/mol:

-45.75

Dipole, Da:

3.45

IP(EA), eV:

 -9.39(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,11S)-9-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-17-methyl-1,4,5,6,9,14,17-heptazatetracyclo[17.3.1.13,6.07,11]tetracosa-3(24),4,19,21-tetraene-13,18,23-trione

Drug info:

PubChemData

Smile

CC1=CC[C@@H]2CN(C[C@@H]2C1)C(=O)COC3=CN=CC=C3

DOS

IR

Vibrations