Geometry & MOs

Info

ID:

427605

PubChem CID:

135160460

Reduced:

NSO2C30H47 (1)

Stoich.:

ABC2D30E47 (1)

Weight, g/mol:

613.031111

ΔHf, kcal/mol:

-125.22

Dipole, Da:

2.46

IP(EA), eV:

 -9.01(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[3-[5-chloro-2-[2-chloro-5-fluoro-4-(1,3-thiazol-2-ylamino)sulfanylphenoxy]phenyl]propyl-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl]amino]acetic acid

Drug info:

PubChemData

Smile

CCCC(CCC(C)CCC(=O)C1=N/C(=C/CC(C2=C1C=C(S2)C3CCC(CC3)(C)C)C)/C)O

DOS

IR

Vibrations