Geometry & MOs

Info

ID:

416290

PubChem CID:

135089303

Reduced:

SO3N4C17H26 (1)

Stoich.:

AB3C4D17E26 (1)

Weight, g/mol:

688.313996

ΔHf, kcal/mol:

-121.74

Dipole, Da:

1.67

IP(EA), eV:

 -9.26(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9S,12S,15R)-9-benzyl-7-[3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoyl]-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

C1COC2(CCN(CC2)C(=O)[C@H](CCCNC(=O)N)N)C3=C1SC=C3

DOS

IR

Vibrations