Geometry & MOs

Info

ID:

420547

PubChem CID:

135113774

Reduced:

SO2N4C21H26 (1)

Stoich.:

AB2C4D21E26 (1)

Weight, g/mol:

557.286286

ΔHf, kcal/mol:

-17.08

Dipole, Da:

5.35

IP(EA), eV:

 -8.67(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7S,11S)-17-methyl-9-[(1-propan-2-ylbenzimidazol-2-yl)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

C1CN(CCC1N2CCC3(CC2)C4=C(CCO3)C=CS4)C(=O)C5=NC=CN=C5

DOS

IR

Vibrations