Geometry & MOs

Info

ID:

237534

PubChem CID:

92719538

Reduced:

SO2N3C26H33 (1)

Stoich.:

AB2C3D26E33 (1)

Weight, g/mol:

483.219178

ΔHf, kcal/mol:

-81.34

Dipole, Da:

3.95

IP(EA), eV:

 -8.74(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(7R)-7-tert-butyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-N-[(2,4-dimethoxyphenyl)methyl]propanamide

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)CCC1=NC2=C(C3=C(S2)C[C@@H](CC3)C(C)(C)C)C(=O)N1)C4=CC=CC=C4

DOS

IR

Vibrations