Geometry & MOs

Info

ID:

418252

PubChem CID:

135103973

Reduced:

O3N4C19H26 (1)

Stoich.:

A3B4C19D26 (1)

Weight, g/mol:

549.252209

ΔHf, kcal/mol:

-61.64

Dipole, Da:

5.65

IP(EA), eV:

 -8.24(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,11S)-9-[(5-cyclopentylthiophen-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=NN(C=C1CN(C)C(=O)C2=CC(=C(C=C2)OC)N3CCOCC3)C

DOS

IR

Vibrations