Geometry & MOs

Info

ID:

33819

PubChem CID:

7888259

Reduced:

NO2C12H13 (2)

Stoich.:

AB2C12D13 (2)

Weight, g/mol:

378.118418

ΔHf, kcal/mol:

-137.19

Dipole, Da:

2.54

IP(EA), eV:

 -8.63(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[(2R)-butan-2-yl]carbamoyl]-2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=CC=CC=C2N1C(=O)[C@H](C)OC(=O)C3=CC=C(C=C3)CN4CCCC4=O

DOS

IR

Vibrations