Geometry & MOs

Info

ID:

302105

PubChem CID:

124349541

Reduced:

S2N3O5C23H29 (1)

Stoich.:

A2B3C5D23E29 (1)

Weight, g/mol:

491.154863

ΔHf, kcal/mol:

-163.43

Dipole, Da:

3.24

IP(EA), eV:

 -9.2(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[(4aS,7aS)-3,6,6-trioxo-4-(4-propan-2-ylphenyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-1-yl]ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)N2[C@H]3CS(=O)(=O)C[C@@H]3N(CC2=O)CCC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations