Geometry & MOs

Info

ID:

415078

PubChem CID:

135088064

Reduced:

NOC6H7 (3)

Stoich.:

ABC6D7 (3)

Weight, g/mol:

531.205259

ΔHf, kcal/mol:

-107.63

Dipole, Da:

9.09

IP(EA), eV:

 -9.6(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,11S)-9-(1-benzothiophen-3-ylmethyl)-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(C(=O)N1)C(=O)N[C@@H]2COC[C@H]2CC3=CC=NC=C3)C

DOS

IR

Vibrations