Geometry & MOs

Info

ID:

178223

PubChem CID:

76298251

Reduced:

BrSO3N5C17H18 (1)

Stoich.:

ABC3D5E17F18 (1)

Weight, g/mol:

495.161011

ΔHf, kcal/mol:

-31.37

Dipole, Da:

1.52

IP(EA), eV:

 -9.09(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[3-(5,6-dimethyl-4-oxo-2,3,4a,7a-tetrahydro-1H-thieno[2,3-d]pyrimidin-2-yl)propanoyl]hydrazinyl]-2-oxoethyl]-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=O)C12)CCC(=O)NNC(=O)C3=CC(=CN3C)Br)C

DOS

IR

Vibrations