Geometry & MOs

Info

ID:

416863

PubChem CID:

135090614

Reduced:

SN4O5C30H40 (1)

Stoich.:

AB4C5D30E40 (1)

Weight, g/mol:

551.285617

ΔHf, kcal/mol:

-203.57

Dipole, Da:

7.38

IP(EA), eV:

 -8.9(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-(1H-imidazole-5-carbonyl)-3-methyl-12-propan-2-yl-1,4,7,10,13-pentazabicyclo[13.3.0]octadecane-2,5,11,14-tetrone

Drug info:

PubChemData

Smile

C[C@H]1C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1C)CC2=CC=C(C=C2)OC)C(=O)C3=C4CCCCC4=CS3

DOS

IR

Vibrations