Geometry & MOs

Info

ID:

177920

PubChem CID:

76252477

Reduced:

OSN3C11H11 (2)

Stoich.:

ABC3D11E11 (2)

Weight, g/mol:

446.144633

ΔHf, kcal/mol:

63.0

Dipole, Da:

5.36

IP(EA), eV:

 -9.04(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-3-[(4-oxo-5,6,7,8-tetrahydro-4aH-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC3=NC(=NC(=O)C23)CSCCC(=O)NCC4=C(N=CC=C4)N5C=CC=N5

DOS

IR

Vibrations