Geometry & MOs

Info

ID:

417820

PubChem CID:

135102820

Reduced:

OSN5C17H23 (1)

Stoich.:

ABC5D17E23 (1)

Weight, g/mol:

630.327816

ΔHf, kcal/mol:

8.71

Dipole, Da:

3.34

IP(EA), eV:

 -8.82(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S,14S)-14-benzyl-10-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-5,17-dimethyl-8-propan-2-yl-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

C1CC(CN(C1)C2=NC(=NC=C2)NCCC3=NC4=C(S3)CCC4)O

DOS

IR

Vibrations