Geometry & MOs

Info

ID:

433363

PubChem CID:

135173500

Reduced:

SF2O5N6C35H48 (1)

Stoich.:

AB2C5D6E35F48 (1)

Weight, g/mol:

451.156577

ΔHf, kcal/mol:

-207.43

Dipole, Da:

7.89

IP(EA), eV:

 -8.02(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2R)-2-[[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]amino]-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate

Drug info:

PubChemData

Smile

CCCS(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CCOCCOCC(=O)OC(C)(C)C)C(=C)C=N)F

DOS

IR

Vibrations