Geometry & MOs

Info

ID:

416632

PubChem CID:

135089854

Reduced:

FSN7O7C36H44 (1)

Stoich.:

ABC7D7E36F44 (1)

Weight, g/mol:

498.259068

ΔHf, kcal/mol:

-277.51

Dipole, Da:

9.44

IP(EA), eV:

 -9.12(-1.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5S)-2-[(4-methoxyphenyl)methyl]-4,5-dimethyl-11-(1H-pyrazole-4-carbonyl)-1,4,7,11-tetrazacyclopentadecane-3,6,15-trione

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=CC(=C(C=C4)OC)F)C)C)C(C)C

DOS

IR

Vibrations