Geometry & MOs

Info

ID:

42471

PubChem CID:

8149593

Reduced:

OSN4C24H30 (1)

Stoich.:

ABC4D24E30 (1)

Weight, g/mol:

411.137853

ΔHf, kcal/mol:

-18.13

Dipole, Da:

4.16

IP(EA), eV:

 -7.81(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5,6-dimethyl-3,4-dihydro-2H-thieno[2,3-d]pyrimidin-3-ium-1-yl]-(furan-2-yl)methanone

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@@H](C)NC4=CC=C(C=C4)N5CCCCC5

DOS

IR

Vibrations