Geometry & MOs

Info

ID:

313315

PubChem CID:

126613722

Reduced:

ClSO4N5C28H28 (1)

Stoich.:

ABC4D5E28F28 (1)

Weight, g/mol:

474.157306

ΔHf, kcal/mol:

-35.53

Dipole, Da:

6.14

IP(EA), eV:

 -8.75(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[5-(cyclopropanecarbonylamino)-4-[(2,4-dimethoxyphenyl)methylcarbamoyl]-1,3-thiazol-2-yl]pyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2C(=O)C3=C(N=C2C4(CC4)Cl)SC(=N3)N5CCC5C(=O)NCC6=CC=CC=C6)OC

DOS

IR

Vibrations