Geometry & MOs

Info

ID:

422258

PubChem CID:

135117520

Reduced:

NSO5C18H25 (1)

Stoich.:

ABC5D18E25 (1)

Weight, g/mol:

647.343132

ΔHf, kcal/mol:

-196.5

Dipole, Da:

4.12

IP(EA), eV:

 -9.25(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,6S,9S,15S)-13-(1H-indazole-3-carbonyl)-6-[(4-methoxyphenyl)methyl]-3-methyl-9-(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11-tetrone

Drug info:

PubChemData

Smile

C1C[C@H]([C@]2(C1)CCCN(C2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4)O

DOS

IR

Vibrations